SUPPLEMENTAL MATERIAL - Notepad...2004/06/29 · SUPPLEMENTAL MATERIAL M. MEHL, W.J. PITZ, C.K....

SUPPLEMENTAL MATERIALM. MEHL, W.J. PITZ, C.K. WESTBROOK and H.J. CURRAN, “Kinetic Modeling of Gasoline Surrogate Components and Mixtures under Engine Conditions”, Proceedings Combustion Institute 2010

Supplemental Material

REACTIONS CONSIDERED A b E

1. H+O2<=>O+OH 3.55E+15 -0.4 16600.0 Reverse Arrhenius coefficients: 1.03E+13 0.0 -133.0 2. O+H2<=>H+OH 5.08E+04 2.7 6292.0 Reverse Arrhenius coefficients: 2.64E+04 2.7 4880.0 3. OH+H2<=>H+H2O 2.16E+08 1.5 3430.0 Reverse Arrhenius coefficients: 2.29E+09 1.4 18320.0 4. O+H2O<=>OH+OH 2.97E+06 2.0 13400.0 Reverse Arrhenius coefficients: 1.45E+05 2.1 -2904.0 5. H2+M<=>H+H+M 4.58E+19 -1.4 104400.0 Reverse Arrhenius coefficients: 1.14E+20 -1.7 820.0 H2 Enhanced by 2.500E+00 H2O Enhanced by 1.200E+01 CO Enhanced by 1.900E+00 CO2 Enhanced by 3.800E+00 6. O2+M<=>O+O+M 4.42E+17 -0.6 118900.0 Reverse Arrhenius coefficients: 6.16E+15 -0.5 0.0 H2 Enhanced by 2.500E+00 H2O Enhanced by 1.200E+01 AR Enhanced by 8.300E-01 CO Enhanced by 1.900E+00 CO2 Enhanced by 3.800E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 8.300E-01 7. OH+M<=>O+H+M 9.78E+17 -0.7 102100.0 Reverse Arrhenius coefficients: 4.71E+18 -1.0 0.0 H2 Enhanced by 2.500E+00 H2O Enhanced by 1.200E+01 AR Enhanced by 7.500E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.500E-01 8. H2O+M<=>H+OH+M 1.91E+23 -1.8 118500.0 Reverse Arrhenius coefficients: 4.50E+22 -2.0 0.0 H2 Enhanced by 7.300E-01 H2O Enhanced by 1.200E+01 AR Enhanced by 3.800E-01 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 3.800E-01 9. H+O2(+M)<=>HO2(+M) 1.48E+12 0.6 0.0 Low pressure limit: 0.34820E+17 -0.41100E+00 -0.11150E+04 TROE centering: 0.50000E+00 0.10000E-29 0.10000E+31 0.10000E+11 H2 Enhanced by 1.300E+00 H2O Enhanced by 1.400E+01 AR Enhanced by 6.700E-01 CO Enhanced by 1.900E+00 CO2 Enhanced by 3.800E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 6.700E-01 10. HO2+H<=>H2+O2 1.66E+13 0.0 823.0 Reverse Arrhenius coefficients: 3.17E+12 0.3 55510.0 11. HO2+H<=>OH+OH 7.08E+13 0.0 295.0 Reverse Arrhenius coefficients: 2.03E+10 0.7 36840.0 12. HO2+O<=>OH+O2 3.25E+13 0.0 0.0 Reverse Arrhenius coefficients: 3.22E+12 0.3 53280.0 13. HO2+OH<=>H2O+O2 1.97E+10 1.0 -328.4 Reverse Arrhenius coefficients: 3.99E+10 1.2 69250.0 14. H2O2+O2<=>HO2+HO2 1.14E+16 -0.3 49730.0 Reverse Arrhenius coefficients: 1.03E+14 0.0 11040.0 Declared duplicate reaction... 15. H2O2+O2<=>HO2+HO2 2.14E+13 -0.3 37280.0 Reverse Arrhenius coefficients: 1.94E+11 0.0 -1409.0 Declared duplicate reaction... 16. H2O2(+M)<=>OH+OH(+M) 2.95E+14 0.0 48430.0 Low pressure limit: 0.12020E+18 0.00000E+00 0.45500E+05 TROE centering: 0.50000E+00 0.10000E-29 0.10000E+31 0.10000E+11 H2 Enhanced by 2.500E+00 H2O Enhanced by 1.200E+01 AR Enhanced by 6.400E-01 CO Enhanced by 1.900E+00 CO2 Enhanced by 3.800E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 6.400E-01 17. H2O2+H<=>H2O+OH 2.41E+13 0.0 3970.0 Reverse Arrhenius coefficients: 1.26E+08 1.3 71410.0 18. H2O2+H<=>H2+HO2 2.15E+10 1.0 6000.0 Reverse Arrhenius coefficients: 3.72E+07 1.7 22000.0 19. H2O2+O<=>OH+HO2 9.55E+06 2.0 3970.0 Reverse Arrhenius coefficients: 8.57E+03 2.7 18560.0 20. H2O2+OH<=>H2O+HO2 2.00E+12 0.0 427.2 Reverse Arrhenius coefficients: 3.66E+10 0.6 31320.0 Declared duplicate reaction... 21. H2O2+OH<=>H2O+HO2 1.70E+18 0.0 29410.0 Reverse Arrhenius coefficients: 3.12E+16 0.6 60300.0 Declared duplicate reaction... 22. CO+O(+M)<=>CO2(+M) 1.80E+10 0.0 2384.0 Low pressure limit: 0.13500E+25 -0.27880E+01 0.41910E+04 H2 Enhanced by 2.000E+00 O2 Enhanced by 6.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 5.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 3.500E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 5.000E-01 23. CO+O2<=>CO2+O 1.05E+12 0.0 42540.0 Reverse Arrhenius coefficients: 8.04E+15 -0.8 51230.0 24. CO+OH<=>CO2+H 2.23E+05 1.9 -1158.0 Reverse Arrhenius coefficients: 5.90E+11 0.7 24260.0 25. CO+HO2<=>CO2+OH 3.01E+13 0.0 23000.0 Reverse Arrhenius coefficients: 2.28E+16 -0.5 84970.0 26. HCO+M<=>H+CO+M 4.75E+11 0.7 14870.0 Reverse Arrhenius coefficients: 3.58E+10 1.0 -457.3 H2 Enhanced by 2.000E+00 H2O Enhanced by 1.200E+01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 27. HCO+O2<=>CO+HO2 7.58E+12 0.0 410.0 Reverse Arrhenius coefficients: 1.20E+12 0.3 33950.0 28. HCO+H<=>CO+H2 7.34E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.21E+12 0.7 88230.0 29. HCO+O<=>CO+OH 3.02E+13 0.0 0.0 Reverse Arrhenius coefficients: 4.72E+11 0.6 86820.0 30. HCO+O<=>CO2+H 3.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.24E+18 -0.6 112200.0 31. HCO+OH<=>CO+H2O 1.02E+14 0.0 0.0 Reverse Arrhenius coefficients: 3.26E+13 0.6 103100.0 32. HCO+CH3<=>CH4+CO 2.65E+13 0.0 0.0 Reverse Arrhenius coefficients: 7.29E+14 0.2 89770.0 33. HCO+HO2<=>CH2O+O2 2.50E+14 -0.1 13920.0 Reverse Arrhenius coefficients: 8.07E+15 0.0 53420.0 34. HCO+HO2<=>CO2+H+OH 3.00E+13 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 35. O2CHO<=>HCO+O2 9.96E+15 -1.1 41000.0 Reverse Arrhenius coefficients: 1.20E+11 0.0 -1100.0 36. CH2O+O2CHO<=>HCO+HO2CHO 1.99E+12 0.0 11660.0 Reverse Arrhenius coefficients: 3.91E+14 -0.9 11810.0 37. HO2CHO<=>OCHO+OH 5.01E+14 0.0 40150.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.0 38. OCHO+M<=>H+CO2+M 5.32E+14 -0.4 17580.0 Reverse Arrhenius coefficients: 7.50E+13 0.0 29000.0 39. CH2O+CO<=>HCO+HCO 9.19E+13 0.4 73040.0 Reverse Arrhenius coefficients: 1.80E+13 0.0 0.0 40. HCO+HCO<=>H2+CO+CO 3.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 41. HCO+H(+M)<=>CH2O(+M) 1.09E+12 0.5 -260.0 Low pressure limit: 0.13500E+25 -0.25700E+01 0.14250E+04 TROE centering: 0.78240E+00 0.27100E+03 0.27550E+04 0.65700E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 42. CO+H2(+M)<=>CH2O(+M) 4.30E+07 1.5 79600.0 Low pressure limit: 0.50700E+28 -0.34200E+01 0.84348E+05 TROE centering: 0.93200E+00 0.19700E+03 0.15400E+04 0.10300E+05 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 43. CH2O+OH<=>HCO+H2O 7.82E+07 1.6 -1055.0 Reverse Arrhenius coefficients: 4.90E+06 1.8 29030.0 44. CH2O+H<=>HCO+H2 5.74E+07 1.9 2740.0 Reverse Arrhenius coefficients: 3.39E+05 2.2 17930.0 45. CH2O+O<=>HCO+OH 6.26E+09 1.1 2260.0 Reverse Arrhenius coefficients: 1.92E+07 1.4 16040.0 46. CH2O+CH3<=>HCO+CH4 3.83E+01 3.4 4312.0 Reverse Arrhenius coefficients: 2.06E+02 3.2 21040.0 47. CH2O+HO2<=>HCO+H2O2 7.10E-03 4.5 6580.0 Reverse Arrhenius coefficients: 2.43E-02 4.1 5769.0 48. HOCH2O<=>CH2O+OH 2.06E+21 -2.3 25730.0 Reverse Arrhenius coefficients: 4.50E+15 -1.1 0.0 49. HOCH2O<=>HOCHO+H 1.00E+14 0.0 14900.0 Reverse Arrhenius coefficients: 1.12E+15 -0.3 11500.0 50. HOCHO<=>CO+H2O 2.45E+12 0.0 60470.0 Reverse Arrhenius coefficients: 2.26E+03 2.1 52890.0 51. HOCHO<=>CO2+H2 2.95E+09 0.0 48520.0 Reverse Arrhenius coefficients: 6.77E+05 1.0 51470.0 52. HOCHO<=>HCO+OH 3.47E+22 -1.5 110700.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.0 53. HOCHO+O2<=>OCHO+HO2 4.10E+12 -0.3 59880.0 Reverse Arrhenius coefficients: 3.50E+10 0.0 -3275.0 54. HOCHO+OH<=>H2O+CO2+H 2.62E+06 2.1 916.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 55. HOCHO+OH<=>H2O+CO+OH 1.85E+07 1.5 -962.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 56. HOCHO+H=>H2+CO2+H 4.24E+06 2.1 4868.0 57. HOCHO+H<=>H2+CO+OH 6.03E+13 -0.3 2988.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 58. HOCHO+CH3<=>CH4+CO+OH 3.90E-07 5.8 2200.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 59. HOCHO+HO2<=>OCHO+H2O2 2.55E+12 0.0 34470.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.0 60. HOCHO+HO2=>H2O2+CO+OH 1.00E+12 0.0 11920.0 61. HOCHO+O=>CO+OH+OH 1.77E+18 -1.9 2975.0

SUPPLEMENTAL MATERIAL 62. HOCHO+HCO<=>CH2O+OCHO 8.58E+11 0.0 26750.0 Reverse Arrhenius coefficients: 5.60E+12 0.0 13600.0 63. CH3O(+M)<=>CH2O+H(+M) 6.80E+13 0.0 26170.0 Low pressure limit: 0.18670E+26 -0.30000E+01 0.24307E+05 TROE centering: 0.90000E+00 0.25000E+04 0.13000E+04 0.10000+100 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 64. CH3O+O2<=>CH2O+HO2 4.38E-19 9.5 -5501.0 Reverse Arrhenius coefficients: 1.42E-20 9.8 21080.0 65. CH2O+CH3O<=>CH3OH+HCO 6.62E+11 0.0 2294.0 Reverse Arrhenius coefficients: 8.39E+10 0.1 17710.0 66. CH4+CH3O<=>CH3+CH3OH 6.12E+02 2.9 8248.0 Reverse Arrhenius coefficients: 1.44E+01 3.1 6935.0 67. CH3O+CH3<=>CH2O+CH4 1.20E+13 0.0 0.0 Reverse Arrhenius coefficients: 6.75E+13 0.2 82810.0 68. CH3O+H<=>CH2O+H2 2.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.23E+11 0.7 81270.0 69. CH3O+HO2<=>CH2O+H2O2 3.01E+11 0.0 0.0 Reverse Arrhenius coefficients: 1.07E+12 0.0 65270.0 70. CH2O+H(+M)<=>CH2OH(+M) 5.40E+11 0.5 3600.0 Low pressure limit: 0.12700E+33 -0.48200E+01 0.65300E+04 TROE centering: 0.71870E+00 0.10300E+03 0.12910E+04 0.41600E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 71. CH2OH+O2<=>CH2O+HO2 1.51E+15 -1.0 0.0 Reverse Arrhenius coefficients: 1.98E+14 -0.6 20060.0 Declared duplicate reaction... 72. CH2OH+O2<=>CH2O+HO2 2.41E+14 0.0 5017.0 Reverse Arrhenius coefficients: 3.15E+13 0.4 25080.0 Declared duplicate reaction... 73. CH2OH+H<=>CH2O+H2 6.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.50E+11 0.8 74750.0 74. CH2OH+HO2<=>CH2O+H2O2 1.20E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.73E+14 0.1 58750.0 75. CH2OH+HCO<=>CH2O+CH2O 1.80E+14 0.0 0.0 Reverse Arrhenius coefficients: 7.60E+14 0.5 59560.0 76. CH2OH+CH3O<=>CH2O+CH3OH 2.40E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.28E+13 0.6 74980.0 77. CH2OH+CH2O<=>CH3OH+HCO 1.88E+04 2.7 4208.0 Reverse Arrhenius coefficients: 9.63E+03 2.9 13110.0 78. OH+CH2OH<=>H2O+CH2O 2.40E+13 0.0 0.0 Reverse Arrhenius coefficients: 6.35E+12 0.7 89640.0 79. O+CH2OH<=>OH+CH2O 4.20E+13 0.0 0.0 Reverse Arrhenius coefficients: 5.44E+11 0.7 73340.0 80. CH2O+CH3OH<=>CH2OH+CH2OH 6.50E+12 0.7 68460.0 Reverse Arrhenius coefficients: 3.00E+12 0.0 0.0 81. CH2OH+HO2<=>HOCH2O+OH 1.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 8.17E+13 0.0 33470.0 82. OCH2O2H<=>CH2O+HO2 1.28E+18 -1.8 10460.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 11900.0 83. OCH2O2H<=>HOCH2O2 3.00E+11 0.0 8600.0 Reverse Arrhenius coefficients: 4.24E+08 0.9 26200.0 84. HOCH2O2+HO2<=>HOCH2O2H+O2 3.50E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 1.05E+14 -0.8 34870.0 85. HOCH2O2H<=>HOCH2O+OH 1.02E+21 -1.9 42490.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.0 86. CH3OH(+M)<=>CH3+OH(+M) 1.90E+16 0.0 91730.0 Low pressure limit: 0.29500E+45 -0.73500E+01 0.95460E+05 TROE centering: 0.41400E+00 0.27900E+03 0.54590E+04 0.10000E+11 87. CH3OH(+M)<=>CH2OH+H(+M) 2.69E+16 -0.1 98940.0 Low pressure limit: 0.23400E+41 -0.63300E+01 0.10310E+06 TROE centering: 0.77300E+00 0.69300E+03 0.53330E+04 0.10000E+11 88. CH3OH+H<=>CH3O+H2 3.60E+12 0.0 6095.0 Reverse Arrhenius coefficients: 1.68E+11 0.2 5868.0 89. CH3OH+H<=>CH2OH+H2 1.20E+06 2.4 2583.0 Reverse Arrhenius coefficients: 1.39E+04 2.5 8871.0 90. CH3OH+O<=>CH2OH+OH 3.88E+05 2.5 3080.0 Reverse Arrhenius coefficients: 2.32E+03 2.6 7956.0 91. CH3OH+OH<=>CH3O+H2O 5.13E+05 2.1 2450.0 Reverse Arrhenius coefficients: 2.53E+05 2.2 17120.0 92. CH3OH+OH<=>CH2OH+H2O 1.44E+06 2.0 -839.0 Reverse Arrhenius coefficients: 1.76E+05 2.0 20340.0 93. CH3OH+O2<=>CH2OH+HO2 2.05E+13 0.0 44900.0 Reverse Arrhenius coefficients: 1.24E+12 -0.2 -3501.0 94. CH3OH+HO2<=>CH2OH+H2O2 1.08E+04 2.5 10530.0 Reverse Arrhenius coefficients: 7.20E+04 2.0 819.0 95. CH3OH+CH3<=>CH2OH+CH4 3.19E+01 3.2 7172.0 Reverse Arrhenius coefficients: 3.35E+02 2.8 15000.0 96. CH3O+CH3OH<=>CH2OH+CH3OH 3.00E+11 0.0 4074.0 Reverse Arrhenius coefficients: 7.42E+10 -0.1 10590.0 97. CH3OH+CH2O<=>CH3O+CH3O 7.98E+12 0.5 81490.0 Reverse Arrhenius coefficients: 6.03E+13 0.0 0.0 98. CH3+H(+M)<=>CH4(+M) 1.27E+16 -0.6 383.0 Low pressure limit: 0.24770E+34 -0.47600E+01 0.24440E+04 TROE centering: 0.78300E+00 0.74000E+02 0.29400E+04 0.69600E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 99. CH4+H<=>CH3+H2 6.14E+05 2.5 9587.0 Reverse Arrhenius coefficients: 6.73E+02 2.9 8047.0 100. CH4+OH<=>CH3+H2O 5.83E+04 2.6 2190.0 Reverse Arrhenius coefficients: 6.78E+02 2.9 15540.0 101. CH4+O<=>CH3+OH 1.02E+09 1.5 8600.0 Reverse Arrhenius coefficients: 5.80E+05 1.9 5648.0 102. CH4+HO2<=>CH3+H2O2 1.13E+01 3.7 21010.0 Reverse Arrhenius coefficients: 7.17E+00 3.5 3468.0 103. CH4+CH2<=>CH3+CH3 2.46E+06 2.0 8270.0 Reverse Arrhenius coefficients: 1.74E+06 1.9 12980.0 104. CH3+OH<=>CH2O+H2 8.00E+09 0.5 -1755.0 Reverse Arrhenius coefficients: 1.07E+12 0.3 68210.0 105. CH3+OH<=>CH2(S)+H2O 4.51E+17 -1.3 1417.0 Reverse Arrhenius coefficients: 1.65E+16 -0.9 1039.0 106. CH3+OH<=>CH3O+H 6.94E+07 1.3 11200.0 Reverse Arrhenius coefficients: 1.50E+12 0.5 -110.0 107. CH3+OH<=>CH2OH+H 3.09E+07 1.6 4506.0 Reverse Arrhenius coefficients: 1.65E+11 0.7 -284.0 108. CH3+OH<=>CH2+H2O 5.60E+07 1.6 5420.0 Reverse Arrhenius coefficients: 9.22E+05 2.1 14060.0 109. CH3+HO2<=>CH3O+OH 1.00E+12 0.3 -687.5 Reverse Arrhenius coefficients: 6.19E+12 0.1 24550.0 110. CH3+HO2<=>CH4+O2 1.16E+05 2.2 -3022.0 Reverse Arrhenius coefficients: 2.02E+07 2.1 53210.0 111. CH3+O<=>CH2O+H 5.54E+13 0.1 -136.0 Reverse Arrhenius coefficients: 3.83E+15 -0.1 68410.0 112. CH3+O2<=>CH3O+O 7.55E+12 0.0 28320.0 Reverse Arrhenius coefficients: 4.72E+14 -0.5 288.0 113. CH3+O2<=>CH2O+OH 2.64E+00 3.3 8105.0 Reverse Arrhenius coefficients: 5.28E-01 3.5 59920.0 114. CH3+O2(+M)<=>CH3O2(+M) 7.81E+09 0.9 0.0 Low pressure limit: 0.68500E+25 -0.30000E+01 0.00000E+00 TROE centering: 0.60000E+00 0.10000E+04 0.70000E+02 0.17000E+04 115. CH3O2+CH2O<=>CH3O2H+HCO 1.99E+12 0.0 11660.0 Reverse Arrhenius coefficients: 1.32E+14 -0.9 9259.0 116. CH4+CH3O2<=>CH3+CH3O2H 1.81E+11 0.0 18480.0 Reverse Arrhenius coefficients: 2.23E+12 -0.7 -655.0 117. CH3OH+CH3O2<=>CH2OH+CH3O2H 1.81E+12 0.0 13710.0 Reverse Arrhenius coefficients: 2.35E+14 -1.0 2404.0 118. CH3O2+CH3<=>CH3O+CH3O 5.08E+12 0.0 -1411.0 Reverse Arrhenius coefficients: 1.97E+12 0.2 28070.0 119. CH3O2+HO2<=>CH3O2H+O2 2.47E+11 0.0 -1570.0 Reverse Arrhenius coefficients: 5.30E+14 -0.8 35520.0 120. CH3O2+CH3O2<=>CH2O+CH3OH+O2 3.11E+14 -1.6 -1051.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 121. CH3O2+CH3O2<=>O2+CH3O+CH3O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 122. CH3O2+H<=>CH3O+OH 9.60E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.72E+09 1.0 40780.0 123. CH3O2+O<=>CH3O+O2 3.60E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.23E+11 0.6 57520.0 124. CH3O2+OH<=>CH3OH+O2 6.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.54E+13 0.4 59160.0 125. CH3O2H<=>CH3O+OH 6.31E+14 0.0 42300.0 Reverse Arrhenius coefficients: 2.51E+06 1.9 -2875.0 126. CH2(S)<=>CH2 1.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 4.49E+12 0.0 9020.0 127. CH2(S)+CH4<=>CH3+CH3 1.60E+13 0.0 -570.0 Reverse Arrhenius coefficients: 5.07E+12 -0.1 13160.0 128. CH2(S)+O2<=>CO+OH+H 7.00E+13 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 129. CH2(S)+H2<=>CH3+H 7.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.02E+16 -0.6 15270.0 130. CH2(S)+H<=>CH2+H 3.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.35E+13 0.0 9020.0 131. CH2(S)+H<=>CH+H2 3.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 6.95E+13 -0.3 12480.0 132. CH2(S)+O<=>CO+H+H 3.00E+13 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 133. CH2(S)+OH<=>CH2O+H 3.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.15E+18 -0.8 85230.0 134. CH2(S)+CO2<=>CH2O+CO 3.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 4.37E+10 0.4 59810.0 135. CH2+H(+M)<=>CH3(+M) 2.50E+16 -0.8 0.0 Low pressure limit: 0.32000E+28 -0.31400E+01 0.12300E+04 TROE centering: 0.68000E+00 0.78000E+02 0.19950E+04 0.55900E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 136. CH2+O2<=>CH2O+O 2.40E+12 0.0 1500.0 Reverse Arrhenius coefficients: 5.96E+14 -0.4 60980.0 137. CH2+O2<=>CO2+H+H 5.80E+12 0.0 1500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 138. CH2+O2<=>CO+OH+H 5.00E+12 0.0 1500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 139. CH2+O<=>CO+H+H 5.00E+13 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 140. CH2+H<=>CH+H2 1.00E+18 -1.6 0.0 Reverse Arrhenius coefficients: 5.16E+18 -1.8 3460.0 Declared duplicate reaction... 141. CH2+OH<=>CH+H2O 1.13E+07 2.0 3000.0 Reverse Arrhenius coefficients: 6.18E+08 1.7 21350.0 142. CH+O2<=>HCO+O 3.30E+13 0.0 0.0 Reverse Arrhenius coefficients: 9.37E+12 0.2 71210.0 143. C+OH<=>CO+H 5.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.36E+15 0.0 154300.0 144. C+O2<=>CO+O 5.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.07E+14 0.0 138200.0 145. CH+H<=>C+H2 5.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.04E+14 0.0 23820.0

SUPPLEMENTAL MATERIAL 146. CH+O<=>CO+H 5.70E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.77E+15 0.0 176000.0 147. CH+OH<=>HCO+H 3.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 5.07E+14 0.0 88110.0 148. CH2+H<=>CH+H2 2.70E+11 0.7 25700.0 Reverse Arrhenius coefficients: 1.90E+11 0.7 28730.0 Declared duplicate reaction... 149. CH+H2O<=>H+CH2O 1.71E+13 0.0 -755.0 Reverse Arrhenius coefficients: 8.37E+14 0.0 57520.0 150. CH+CO2<=>HCO+CO 1.70E+12 0.0 685.0 Reverse Arrhenius coefficients: 2.56E+11 0.0 66460.0 151. CH3+CH3(+M)<=>C2H6(+M) 9.21E+16 -1.2 635.8 Low pressure limit: 0.11350E+37 -0.52460E+01 0.17050E+04 TROE centering: 0.40500E+00 0.11200E+04 0.69600E+02 0.10000E+11 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 152. C2H5+H(+M)<=>C2H6(+M) 5.21E+17 -1.0 1580.0 Low pressure limit: 0.19900E+42 -0.70800E+01 0.66850E+04 TROE centering: 0.84200E+00 0.12500E+03 0.22190E+04 0.68820E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 153. C2H6+H<=>C2H5+H2 1.15E+08 1.9 7530.0 Reverse Arrhenius coefficients: 1.06E+04 2.6 9760.0 154. C2H6+O<=>C2H5+OH 3.55E+06 2.4 5830.0 Reverse Arrhenius coefficients: 1.70E+02 3.1 6648.0 155. C2H6+OH<=>C2H5+H2O 1.48E+07 1.9 950.0 Reverse Arrhenius coefficients: 1.45E+04 2.5 18070.0 156. C2H6+O2<=>C2H5+HO2 6.03E+13 0.0 51870.0 Reverse Arrhenius coefficients: 2.92E+10 0.3 -593.0 157. C2H6+CH3<=>C2H5+CH4 1.51E-07 6.0 6047.0 Reverse Arrhenius coefficients: 1.27E-08 6.2 9817.0 158. C2H6+HO2<=>C2H5+H2O2 3.46E+01 3.6 16920.0 Reverse Arrhenius coefficients: 1.85E+00 3.6 3151.0 159. C2H6+CH3O2<=>C2H5+CH3O2H 1.94E+01 3.6 17100.0 Reverse Arrhenius coefficients: 2.02E+01 3.2 1734.0 160. C2H6+CH3O<=>C2H5+CH3OH 2.41E+11 0.0 7090.0 Reverse Arrhenius coefficients: 4.78E+08 0.5 9547.0 161. C2H6+CH<=>C2H5+CH2 1.10E+14 0.0 -260.0 Reverse Arrhenius coefficients: 1.97E+09 0.9 -1490.0 162. CH2(S)+C2H6<=>CH3+C2H5 1.20E+14 0.0 0.0 Reverse Arrhenius coefficients: 3.20E+12 0.1 17500.0 163. C2H4+H(+M)<=>C2H5(+M) 1.08E+12 0.5 1822.0 Low pressure limit: 0.12000E+43 -0.76200E+01 0.69700E+04 TROE centering: 0.97500E+00 0.21000E+03 0.98400E+03 0.43740E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 164. H2+CH3O2<=>H+CH3O2H 1.50E+14 0.0 26030.0 Reverse Arrhenius coefficients: 1.69E+18 -1.1 8434.0 165. H2+C2H5O2<=>H+C2H5O2H 1.50E+14 0.0 26030.0 Reverse Arrhenius coefficients: 1.69E+18 -1.1 8438.0 166. C2H5+C2H3<=>C2H4+C2H4 6.86E+11 0.1 -4300.0 Reverse Arrhenius coefficients: 4.82E+14 0.0 71530.0 167. CH3+C2H5<=>CH4+C2H4 1.18E+04 2.5 -2921.0 Reverse Arrhenius coefficients: 2.39E+06 2.4 66690.0 168. C2H5+H<=>CH3+CH3 9.69E+13 0.0 220.0 Reverse Arrhenius coefficients: 2.03E+09 1.0 10510.0 169. C2H5+H<=>C2H4+H2 2.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 4.44E+11 0.4 68070.0 170. C2H5+O<=>CH3CHO+H 1.10E+14 0.0 0.0 Reverse Arrhenius coefficients: 1.03E+17 -0.5 77420.0 171. C2H5+HO2<=>C2H5O+OH 1.10E+13 0.0 0.0 Reverse Arrhenius coefficients: 9.68E+15 -0.7 27650.0 172. CH3O2+C2H5<=>CH3O+C2H5O 8.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.40E+14 -0.4 30890.0 173. C2H5O+O2<=>CH3CHO+HO2 4.28E+10 0.0 1097.0 Reverse Arrhenius coefficients: 1.32E+08 0.6 34130.0 174. C2H5O<=>CH3+CH2O 1.32E+20 -2.0 20750.0 Reverse Arrhenius coefficients: 3.00E+11 0.0 6336.0 175. C2H5O<=>CH3CHO+H 5.43E+15 -0.7 22230.0 Reverse Arrhenius coefficients: 8.00E+12 0.0 6400.0 176. C2H5O2<=>C2H5+O2 1.31E+62 -14.8 49180.0 Reverse Arrhenius coefficients: 2.88E+56 -13.8 14620.0 177. C2H5O2+CH2O<=>C2H5O2H+HCO 1.99E+12 0.0 11660.0 Reverse Arrhenius coefficients: 1.32E+14 -0.9 9263.0 178. CH4+C2H5O2<=>CH3+C2H5O2H 1.81E+11 0.0 18480.0 Reverse Arrhenius coefficients: 2.24E+12 -0.7 -651.0 179. CH3OH+C2H5O2<=>CH2OH+C2H5O2H 1.81E+12 0.0 13710.0 Reverse Arrhenius coefficients: 2.35E+14 -1.0 2408.0 180. C2H5O2+HO2<=>C2H5O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.76E+13 -0.8 33820.0 181. C2H6+C2H5O2<=>C2H5+C2H5O2H 8.60E+00 3.8 17200.0 Reverse Arrhenius coefficients: 8.96E+00 3.3 1838.0 182. C2H5O2H<=>C2H5O+OH 6.31E+14 0.0 42300.0 Reverse Arrhenius coefficients: 5.66E+08 1.0 -1705.0 183. C2H4O2H<=>C2H5+O2 4.37E+47 -12.1 31020.0 Reverse Arrhenius coefficients: 1.81E+45 -11.5 14600.0 184. C2H5+O2<=>C2H4+HO2 7.56E+14 -1.0 4749.0 Reverse Arrhenius coefficients: 8.80E+14 -1.0 18130.0 Declared duplicate reaction... 185. C2H5+O2<=>C2H4+HO2 4.00E-01 3.9 13620.0 Reverse Arrhenius coefficients: 4.66E-01 3.9 27000.0 Declared duplicate reaction... 186. C2H5+O2<=>C2H4O1-2+OH 1.63E+11 -0.3 6150.0 Reverse Arrhenius coefficients: 3.63E+13 -0.6 39840.0 187. C2H5+O2<=>CH3CHO+OH 8.26E+02 2.4 5285.0 Reverse Arrhenius coefficients: 2.25E+03 2.3 65970.0 188. C2H5O2<=>C2H4O2H 2.28E+39 -8.5 45170.0 Reverse Arrhenius coefficients: 1.20E+36 -8.1 27020.0 189. C2H5O2<=>CH3CHO+OH 2.52E+41 -10.2 43710.0 Reverse Arrhenius coefficients: 1.50E+36 -9.3 69840.0 190. C2H5O2<=>C2H4+HO2 1.82E+38 -8.4 37890.0 Reverse Arrhenius coefficients: 4.63E+32 -7.4 16700.0 191. C2H5O2<=>C2H4O1-2+OH 4.00E+43 -10.5 45580.0 Reverse Arrhenius coefficients: 1.96E+40 -9.8 44710.0 192. C2H4O2H<=>C2H4O1-2+OH 8.85E+30 -6.1 20660.0 Reverse Arrhenius coefficients: 8.20E+30 -5.8 37930.0 193. C2H4O2H<=>C2H4+HO2 3.98E+34 -7.2 23250.0 Reverse Arrhenius coefficients: 1.92E+32 -6.6 20210.0 194. C2H4O2H<=>CH3CHO+OH 1.19E+34 -9.0 29210.0 Reverse Arrhenius coefficients: 1.34E+32 -8.5 73480.0 195. C2H4O1-2<=>CH3+HCO 3.63E+13 0.0 57200.0 Reverse Arrhenius coefficients: 1.01E+04 1.5 -2750.0 196. C2H4O1-2<=>CH3CHO 7.41E+12 0.0 53800.0 Reverse Arrhenius coefficients: 9.01E+10 0.2 80800.0 197. C2H4O1-2+OH<=>C2H3O1-2+H2O 1.78E+13 0.0 3610.0 Reverse Arrhenius coefficients: 1.35E+10 0.7 24740.0 198. C2H4O1-2+H<=>C2H3O1-2+H2 8.00E+13 0.0 9680.0 Reverse Arrhenius coefficients: 5.71E+09 0.8 15920.0 199. C2H4O1-2+HO2<=>C2H3O1-2+H2O2 1.13E+13 0.0 30430.0 Reverse Arrhenius coefficients: 4.67E+11 0.1 20670.0 200. C2H4O1-2+CH3O2<=>C2H3O1-2+CH3O2H 1.13E+13 0.0 30430.0 Reverse Arrhenius coefficients: 9.08E+12 -0.3 19070.0 201. C2H4O1-2+C2H5O2<=>C2H3O1-2+C2H5O2H 1.13E+13 0.0 30430.0 Reverse Arrhenius coefficients: 9.09E+12 -0.3 19080.0 202. C2H4O1-2+CH3<=>C2H3O1-2+CH4 1.07E+12 0.0 11830.0 Reverse Arrhenius coefficients: 6.97E+10 0.4 19610.0 203. C2H4O1-2+CH3O<=>C2H3O1-2+CH3OH 1.20E+11 0.0 6750.0 Reverse Arrhenius coefficients: 1.84E+08 0.6 13220.0 204. C2H3O1-2<=>CH3CO 8.50E+14 0.0 14000.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 48710.0 205. C2H3O1-2<=>CH2CHO 1.00E+14 0.0 14000.0 Reverse Arrhenius coefficients: 1.24E+15 -0.4 44010.0 206. CH3CHO<=>CH3+HCO 7.69E+20 -1.3 86950.0 Reverse Arrhenius coefficients: 1.75E+13 0.0 0.0 207. CH3CHO+H<=>CH3CO+H2 2.37E+13 0.0 3642.0 Reverse Arrhenius coefficients: 1.64E+10 0.6 17600.0 208. CH3CHO+O<=>CH3CO+OH 5.94E+12 0.0 1868.0 Reverse Arrhenius coefficients: 2.13E+09 0.6 14410.0 209. CH3CHO+OH<=>CH3CO+H2O 3.37E+12 0.0 -619.0 Reverse Arrhenius coefficients: 2.47E+10 0.5 28230.0 210. CH3CHO+O2<=>CH3CO+HO2 3.01E+13 0.0 39150.0 Reverse Arrhenius coefficients: 1.09E+11 0.3 -1588.0 211. CH3CHO+CH3<=>CH3CO+CH4 7.08E-04 4.6 1966.0 Reverse Arrhenius coefficients: 4.47E-04 4.8 17460.0 212. CH3CHO+HO2<=>CH3CO+H2O2 3.01E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.20E+12 -0.1 9877.0 213. CH3O2+CH3CHO<=>CH3O2H+CH3CO 3.01E+12 0.0 11920.0 Reverse Arrhenius coefficients: 2.34E+13 -0.5 8282.0 214. CH3CHO+CH3CO3<=>CH3CO+CH3CO3H 3.01E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.92E+12 0.0 12650.0 215. CH3CHO+OH<=>CH3+HOCHO 3.00E+15 -1.1 0.0 Reverse Arrhenius coefficients: 2.37E+16 -1.3 23750.0 216. CH3CHO+OH<=>CH2CHO+H2O 1.72E+05 2.4 815.0 Reverse Arrhenius coefficients: 1.33E+05 2.5 24950.0 217. CH3CO(+M)<=>CH3+CO(+M) 3.00E+12 0.0 16720.0 Low pressure limit: 0.12000E+16 0.00000E+00 0.12518E+05 218. CH3CO+H<=>CH2CO+H2 2.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.04E+13 0.2 60560.0 219. CH3CO+O<=>CH2CO+OH 2.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 5.38E+12 0.2 59140.0 220. CH3CO+CH3<=>CH2CO+CH4 5.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.36E+16 -0.2 62100.0 221. CH3CO3<=>CH3CO+O2 6.86E+19 -1.9 38530.0 Reverse Arrhenius coefficients: 1.20E+11 0.0 -1100.0 222. CH3CO3+HO2<=>CH3CO3H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.08E+12 -0.3 38180.0 223. H2O2+CH3CO3<=>HO2+CH3CO3H 2.41E+12 0.0 9936.0 Reverse Arrhenius coefficients: 3.84E+12 0.1 12710.0 224. CH4+CH3CO3<=>CH3+CH3CO3H 1.81E+11 0.0 18480.0 Reverse Arrhenius coefficients: 1.83E+11 -0.2 3711.0 225. CH2O+CH3CO3<=>HCO+CH3CO3H 1.99E+12 0.0 11660.0 Reverse Arrhenius coefficients: 1.08E+13 -0.4 13620.0 226. C2H6+CH3CO3<=>C2H5+CH3CO3H 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 1.45E+12 0.0 9460.0 227. CH3CO3H<=>CH3CO2+OH 5.01E+14 0.0 40150.0 Reverse Arrhenius coefficients: 3.62E+07 1.8 1338.0 228. CH3CO2+M<=>CH3+CO2+M 4.40E+15 0.0 10500.0 Reverse Arrhenius coefficients: 4.55E+08 1.4 17520.0 229. CH2CHO<=>CH2CO+H 4.07E+15 -0.3 50600.0 Reverse Arrhenius coefficients: 5.00E+13 0.0 12300.0 230. CH2CHO+O2<=>CH2O+CO+OH 8.95E+13 -0.6 10120.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 231. CH2+CO(+M)<=>CH2CO(+M) 8.10E+11 0.0 0.0 Low pressure limit: 0.26900E+34 -0.51100E+01 0.70950E+04 TROE centering: 0.59070E+00 0.27500E+03 0.12260E+04 0.51850E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 232. CH2CO+H<=>CH3+CO 1.10E+13 0.0 3400.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 2.40E+12 0.0 40200.0 233. CH2CO+H<=>HCCO+H2 2.00E+14 0.0 8000.0 Reverse Arrhenius coefficients: 1.43E+11 0.5 4520.0 234. CH2CO+O<=>CH2+CO2 1.75E+12 0.0 1350.0 Reverse Arrhenius coefficients: 2.85E+09 0.8 49440.0 235. CH2CO+O<=>HCCO+OH 1.00E+13 0.0 8000.0 Reverse Arrhenius coefficients: 3.72E+09 0.5 3108.0 236. CH2CO+OH<=>HCCO+H2O 1.00E+13 0.0 2000.0 Reverse Arrhenius coefficients: 7.60E+10 0.4 13410.0 237. CH2CO+OH<=>CH2OH+CO 2.00E+12 0.0 -1010.0 Reverse Arrhenius coefficients: 8.17E+09 0.5 24530.0 238. CH2(S)+CH2CO<=>C2H4+CO 1.60E+14 0.0 0.0 Reverse Arrhenius coefficients: 3.75E+14 0.2 103400.0 239. HCCO+OH<=>H2+CO+CO 1.00E+14 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 240. H+HCCO<=>CH2(S)+CO 1.10E+13 0.0 0.0 Reverse Arrhenius coefficients: 4.06E+07 1.6 18540.0 241. HCCO+O<=>H+CO+CO 8.00E+13 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 242. HCCO+O2<=>OH+CO+CO 4.20E+10 0.0 850.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 243. HCCO+M<=>CH+CO+M 6.50E+15 0.0 58820.0 Reverse Arrhenius coefficients: 7.60E+22 -1.9 0.0 244. CH+CH2O<=>H+CH2CO 9.46E+13 0.0 -515.0 Reverse Arrhenius coefficients: 1.62E+15 0.0 69060.0 245. CH+HCCO<=>CO+C2H2 5.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.72E+17 0.0 164600.0 246. C2H3+H(+M)<=>C2H4(+M) 1.36E+14 0.2 660.0 Low pressure limit: 0.14000E+31 -0.38600E+01 0.33200E+04 TROE centering: 0.78200E+00 0.20750E+03 0.26630E+04 0.60950E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 247. C2H4(+M)<=>C2H2+H2(+M) 8.00E+12 0.4 88770.0 Low pressure limit: 0.15800E+52 -0.93000E+01 0.97800E+05 TROE centering: 0.73500E+00 0.18000E+03 0.10350E+04 0.54170E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 248. C2H4+H<=>C2H3+H2 5.07E+07 1.9 12950.0 Reverse Arrhenius coefficients: 1.60E+04 2.4 5190.0 249. C2H4+O<=>CH3+HCO 8.56E+06 1.9 183.0 Reverse Arrhenius coefficients: 3.30E+02 2.6 26140.0 250. C2H4+O<=>CH2CHO+H 4.99E+06 1.9 183.0 Reverse Arrhenius coefficients: 1.54E+09 1.2 18780.0 251. C2H4+OH<=>C2H3+H2O 1.80E+06 2.0 2500.0 Reverse Arrhenius coefficients: 6.03E+03 2.4 9632.0 252. C2H4+CH3<=>C2H3+CH4 6.62E+00 3.7 9500.0 Reverse Arrhenius coefficients: 1.91E+00 3.8 3280.0 253. C2H4+O2<=>C2H3+HO2 4.00E+13 0.0 58200.0 Reverse Arrhenius coefficients: 2.00E+10 0.2 -4249.0 254. C2H4+CH3O<=>C2H3+CH3OH 1.20E+11 0.0 6750.0 255. C2H4+CH3O2<=>C2H3+CH3O2H 8.59E+00 3.8 27132.0 256. C2H4+C2H5O2<=>C2H3+C2H5O2H 8.59E+00 3.8 27132.0 257. C2H4+CH3CO3<=>C2H3+CH3CO3H 8.59E+00 3.8 27132.0 258. C2H4+CH3O2<=>C2H4O1-2+CH3O 2.82E+12 0.0 17110.0 Reverse Arrhenius coefficients: 3.38E+13 -0.1 41660.0 259. C2H4+C2H5O2<=>C2H4O1-2+C2H5O 2.82E+12 0.0 17110.0 Reverse Arrhenius coefficients: 7.64E+15 -0.9 42830.0 260. C2H4+HO2<=>C2H4O1-2+OH 2.23E+12 0.0 17190.0 Reverse Arrhenius coefficients: 4.28E+14 -0.4 37500.0 261. CH+CH4<=>C2H4+H 6.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 3.57E+14 0.0 55480.0 262. CH2(S)+CH3<=>C2H4+H 2.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 6.13E+19 -1.2 73050.0 263. C2H2+H(+M)<=>C2H3(+M) 5.60E+12 0.0 2400.0 Low pressure limit: 0.38000E+41 -0.72700E+01 0.72200E+04 TROE centering: 0.75100E+00 0.98500E+02 0.13020E+04 0.41670E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 264. C2H3+O2<=>C2H2+HO2 2.12E-06 6.0 9484.0 Reverse Arrhenius coefficients: 1.09E-05 5.9 24030.0 265. C2H3+O2<=>CH2O+HCO 8.50E+28 -5.3 6500.0 Reverse Arrhenius coefficients: 3.99E+27 -4.9 93450.0 266. C2H3+O2<=>CH2CHO+O 5.50E+14 -0.6 5260.0 Reverse Arrhenius coefficients: 3.00E+18 -1.4 16300.0 267. CH3+C2H3<=>CH4+C2H2 3.92E+11 0.0 0.0 Reverse Arrhenius coefficients: 3.50E+14 -0.2 70780.0 268. C2H3+H<=>C2H2+H2 9.64E+13 0.0 0.0 Reverse Arrhenius coefficients: 9.43E+13 0.3 69240.0 269. C2H3+OH<=>C2H2+H2O 5.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 5.18E+13 0.1 84130.0 270. C2H+H(+M)<=>C2H2(+M) 1.00E+17 0.0 0.0 Low pressure limit: 0.37500E+34 -0.48000E+01 0.19000E+04 TROE centering: 0.64600E+00 0.13200E+03 0.13150E+04 0.55660E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00 C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 271. C2H2+O2<=>HCCO+OH 2.00E+08 1.5 30100.0 Reverse Arrhenius coefficients: 2.04E+06 1.5 32270.0 272. O+C2H2<=>C2H+OH 4.60E+19 -1.4 28950.0 Reverse Arrhenius coefficients: 3.02E+15 -0.6 -1782.0 273. C2H2+O<=>CH2+CO 6.94E+06 2.0 1900.0 Reverse Arrhenius coefficients: 4.05E+01 3.2 48360.0 274. C2H2+O<=>HCCO+H 1.35E+07 2.0 1900.0 Reverse Arrhenius coefficients: 4.76E+07 1.6 20800.0 275. C2H2+OH<=>C2H+H2O 3.37E+07 2.0 14000.0 Reverse Arrhenius coefficients: 4.52E+04 2.7 -428.0 276. C2H2+OH<=>CH2CO+H 3.24E+13 0.0 12000.0 Reverse Arrhenius coefficients: 3.06E+17 -0.8 35790.0 277. C2H2+OH<=>CH3+CO 4.83E-04 4.0 -2000.0 Reverse Arrhenius coefficients: 3.49E-06 4.6 52120.0 278. OH+C2H2<=>H+HCCOH 5.04E+05 2.3 13500.0 Reverse Arrhenius coefficients: 3.85E+09 1.4 4382.0 279. H+HCCOH<=>H+CH2CO 1.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 9.30E+13 -0.3 31110.0 280. C2H5OH(+M)<=>CH2OH+CH3(+M) 2.00E+23 -1.7 96400.0 Low pressure limit: 0.31100E+86 -0.18840E+02 0.11310E+06 TROE centering: 0.50000E+00 0.55000E+03 0.82500E+03 0.61000E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 5.000E+00 CO Enhanced by 2.000E+00 CO2 Enhanced by 3.000E+00 281. C2H5OH(+M)<=>C2H5+OH(+M) 2.40E+23 -1.6 99540.0 Low pressure limit: 0.51100E+86 -0.18800E+02 0.11877E+06 TROE centering: 0.50000E+00 0.65000E+03 0.80000E+03 0.10000E+16 H2 Enhanced by 2.000E+00 H2O Enhanced by 5.000E+00 CO Enhanced by 2.000E+00 CO2 Enhanced by 3.000E+00 282. C2H5OH(+M)<=>C2H4+H2O(+M) 1.32E+05 2.5 60660.0 Low pressure limit: 0.30900E+56 -0.10920E+02 0.62644E+05 TROE centering: 0.89700E+00 0.10000E+11 0.10000E+01 0.50000E+10 H2O Enhanced by 5.000E+00 283. C2H5OH(+M)<=>CH3CHO+H2(+M) 7.24E+11 0.1 91010.0 Low pressure limit: 0.44600E+88 -0.19420E+02 0.11558E+06 TROE centering: 0.90000E+00 0.90000E+03 0.11000E+04 0.35000E+04 H2O Enhanced by 5.000E+00 284. C2H5OH+O2<=>PC2H4OH+HO2 2.00E+13 0.0 52800.0 Reverse Arrhenius coefficients: 2.19E+10 0.3 443.0 285. C2H5OH+O2<=>SC2H4OH+HO2 1.50E+13 0.0 50150.0 Reverse Arrhenius coefficients: 1.95E+11 0.1 4879.0 286. C2H5OH+OH<=>PC2H4OH+H2O 1.81E+11 0.4 717.0 Reverse Arrhenius coefficients: 4.01E+08 0.9 17940.0 287. C2H5OH+OH<=>SC2H4OH+H2O 5.56E+10 0.5 -380.0 Reverse Arrhenius coefficients: 1.46E+09 0.8 23930.0 288. C2H5OH+OH<=>C2H5O+H2O 1.50E+10 0.8 2534.0 Reverse Arrhenius coefficients: 7.32E+09 0.9 17210.0 289. C2H5OH+H<=>PC2H4OH+H2 1.88E+03 3.2 7150.0 Reverse Arrhenius coefficients: 3.93E-01 3.8 9484.0 290. C2H5OH+H<=>SC2H4OH+H2 1.79E+05 2.5 3420.0 Reverse Arrhenius coefficients: 4.43E+02 3.0 12840.0 291. C2H5OH+H<=>C2H5O+H2 5.36E+04 2.5 4405.0 Reverse Arrhenius coefficients: 2.47E+03 2.7 4188.0 292. C2H5OH+HO2<=>PC2H4OH+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.88E+03 2.5 2827.0 293. C2H5OH+HO2<=>SC2H4OH+H2O2 6.00E+12 0.0 16000.0 Reverse Arrhenius coefficients: 8.59E+12 -0.3 9419.0 294. C2H5OH+HO2<=>C2H5O+H2O2 2.50E+12 0.0 24000.0 Reverse Arrhenius coefficients: 6.66E+13 -0.5 7782.0 295. C2H5OH+CH3O2<=>PC2H4OH+CH3O2H 1.23E+04 2.5 15750.0 Reverse Arrhenius coefficients: 2.89E+04 2.0 488.0 296. C2H5OH+CH3O2<=>SC2H4OH+CH3O2H 8.20E+03 2.5 10750.0 Reverse Arrhenius coefficients: 2.28E+05 1.8 2574.0 297. C2H5OH+CH3O2<=>C2H5O+CH3O2H 2.50E+12 0.0 24000.0 Reverse Arrhenius coefficients: 1.30E+15 -0.9 6187.0 298. C2H5OH+O<=>PC2H4OH+OH 9.69E+02 3.2 4658.0 Reverse Arrhenius coefficients: 1.05E-01 3.8 5580.0 299. C2H5OH+O<=>SC2H4OH+OH 1.45E+05 2.5 876.0 Reverse Arrhenius coefficients: 1.86E+02 2.9 8884.0 300. C2H5OH+O<=>C2H5O+OH 1.46E-03 4.7 1727.0 Reverse Arrhenius coefficients: 3.49E-05 4.9 98.0 301. C2H5OH+CH3<=>PC2H4OH+CH4 3.30E+02 3.3 12290.0 Reverse Arrhenius coefficients: 6.29E+01 3.5 16160.0 302. C2H5OH+CH3<=>SC2H4OH+CH4 1.99E+01 3.4 7634.0 Reverse Arrhenius coefficients: 4.50E+01 3.4 18590.0 303. C2H5OH+CH3<=>C2H5O+CH4 2.04E+00 3.6 7721.0 Reverse Arrhenius coefficients: 8.55E+01 3.3 9044.0 304. C2H5OH+C2H5<=>PC2H4OH+C2H6 5.00E+10 0.0 13400.0 Reverse Arrhenius coefficients: 7.00E+10 0.0 26990.0 305. C2H5OH+C2H5<=>SC2H4OH+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 7.00E+10 0.0 2.4 306. PC2H4OH<=>C2H4+OH 1.05E+25 -4.0 30390.0 Reverse Arrhenius coefficients: 4.17E+20 -2.8 1240.0 307. SC2H4OH+M<=>CH3CHO+H+M 1.00E+14 0.0 25000.0 Reverse Arrhenius coefficients: 2.74E+12 0.5 -470.0 308. O2C2H4OH<=>PC2H4OH+O2 3.90E+16 -1.0 30000.0 Reverse Arrhenius coefficients: 1.20E+11 0.0 -1100.0 309. O2C2H4OH<=>OH+CH2O+CH2O 3.12E+09 0.0 18900.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 310. SC2H4OH+O2<=>CH3CHO+HO2 3.81E+06 2.0 1641.0 Reverse Arrhenius coefficients: 2.19E+05 2.4 25040.0 311. CH3COCH3(+M)<=>CH3CO+CH3(+M) 7.11E+21 -1.6 84680.0 Low pressure limit: 0.70130E+90 -0.20380E+02 0.10715E+06 TROE centering: 0.86300E+00 0.10000E+11 0.41640E+03 0.32900E+10 312. CH3COCH3+OH<=>CH3COCH2+H2O 1.25E+05 2.5 445.0 Reverse Arrhenius coefficients: 8.62E+04 2.3 24710.0 313. CH3COCH3+H<=>CH3COCH2+H2 9.80E+05 2.4 5160.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 6.37E+04 2.4 14530.0 314. CH3COCH3+O<=>CH3COCH2+OH 5.13E+11 0.2 4890.0 Reverse Arrhenius coefficients: 1.73E+10 0.1 12850.0 315. CH3COCH3+CH3<=>CH3COCH2+CH4 3.96E+11 0.0 9784.0 Reverse Arrhenius coefficients: 2.35E+13 -0.5 20690.0 316. CH3COCH3+CH3O<=>CH3COCH2+CH3OH 4.34E+11 0.0 6460.0 Reverse Arrhenius coefficients: 6.06E+11 -0.3 16060.0 317. CH3COCH3+O2<=>CH3COCH2+HO2 6.03E+13 0.0 48500.0 Reverse Arrhenius coefficients: 2.06E+13 -0.4 3181.0 318. CH3COCH3+HO2<=>CH3COCH2+H2O2 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 6.40E+14 -0.8 13830.0 319. CH3COCH3+CH3O2<=>CH3COCH2+CH3O2H 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 1.24E+16 -1.2 12230.0 320. CH3COCH2<=>CH2CO+CH3 1.00E+14 0.0 31000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 6000.0 321. CH3COCH2O2<=>CH3COCH2+O2 2.02E+15 -1.0 24460.0 Reverse Arrhenius coefficients: 1.20E+11 0.0 -1100.0 322. CH3COCH3+CH3COCH2O2<=>CH3COCH2+CH3COCH2O2H 1.00E+11 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 10000.0 323. CH2O+CH3COCH2O2<=>HCO+CH3COCH2O2H 1.29E+11 0.0 9000.0 Reverse Arrhenius coefficients: 2.51E+10 0.0 10100.0 324. HO2+CH3COCH2O2<=>CH3COCH2O2H+O2 1.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 325. CH3COCH2O2H<=>CH3COCH2O+OH 1.00E+16 0.0 43000.0 Reverse Arrhenius coefficients: 1.00E+15 -0.8 0.0 326. CH3COCH2O<=>CH3CO+CH2O 3.73E+20 -2.2 17260.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.0 327. C2H3CHO<=>C2H3+HCO 2.00E+24 -2.1 103400.0 Reverse Arrhenius coefficients: 1.81E+13 0.0 0.0 328. C2H3CHO+H<=>C2H3CO+H2 1.34E+13 0.0 3300.0 Reverse Arrhenius coefficients: 3.31E+10 0.6 22680.0 329. C2H3CHO+O<=>C2H3CO+OH 5.94E+12 0.0 1868.0 Reverse Arrhenius coefficients: 7.62E+09 0.6 19840.0 330. C2H3CHO+OH<=>C2H3CO+H2O 9.24E+06 1.5 -962.0 Reverse Arrhenius coefficients: 2.42E+05 2.0 33310.0 331. C2H3CHO+O2<=>C2H3CO+HO2 1.00E+13 0.0 40700.0 Reverse Arrhenius coefficients: 1.30E+11 0.3 5391.0 332. C2H3CHO+HO2<=>C2H3CO+H2O2 3.01E+12 0.0 11920.0 Reverse Arrhenius coefficients: 4.30E+12 -0.1 15300.0 333. C2H3CHO+CH3<=>C2H3CO+CH4 2.61E+06 1.8 5911.0 Reverse Arrhenius coefficients: 5.88E+06 1.9 26830.0 334. C2H3CHO+C2H3<=>C2H3CO+C2H4 1.74E+12 0.0 8440.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 28000.0 335. C2H3CHO+CH3O<=>C2H3CO+CH3OH 1.00E+12 0.0 3300.0 Reverse Arrhenius coefficients: 5.30E+10 0.4 22910.0 336. C2H3CHO+CH3O2<=>C2H3CO+CH3O2H 3.01E+12 0.0 11920.0 Reverse Arrhenius coefficients: 8.37E+13 -0.5 13710.0 337. C2H3CO<=>C2H3+CO 1.37E+21 -2.2 39410.0 Reverse Arrhenius coefficients: 1.51E+11 0.0 4810.0 338. C2H5CHO<=>C2H5+HCO 1.50E+27 -3.2 87040.0 Reverse Arrhenius coefficients: 1.81E+13 0.0 0.0 339. C2H5CHO+H<=>C2H5CO+H2 4.00E+13 0.0 4200.0 Reverse Arrhenius coefficients: 2.38E+10 0.7 18130.0 340. C2H5CHO+O<=>C2H5CO+OH 5.00E+12 0.0 1790.0 Reverse Arrhenius coefficients: 1.54E+09 0.6 14310.0 341. C2H5CHO+OH<=>C2H5CO+H2O 2.69E+10 0.8 -340.0 Reverse Arrhenius coefficients: 1.70E+08 1.3 28480.0 342. C2H5CHO+CH3<=>C2H5CO+CH4 2.61E+06 1.8 5911.0 Reverse Arrhenius coefficients: 1.41E+06 2.0 21380.0 343. C2H5CHO+HO2<=>C2H5CO+H2O2 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 9.63E+11 0.0 11530.0 344. C2H5CHO+CH3O<=>C2H5CO+CH3OH 1.00E+12 0.0 3300.0 Reverse Arrhenius coefficients: 1.28E+10 0.4 17460.0 345. C2H5CHO+CH3O2<=>C2H5CO+CH3O2H 3.01E+12 0.0 11920.0 Reverse Arrhenius coefficients: 2.01E+13 -0.5 8260.0 346. C2H5CHO+C2H5<=>C2H5CO+C2H6 1.00E+12 0.0 8000.0 Reverse Arrhenius coefficients: 6.43E+12 0.0 19700.0 347. C2H5CHO+C2H5O<=>C2H5CO+C2H5OH 6.03E+11 0.0 3300.0 Reverse Arrhenius coefficients: 3.02E+11 0.0 18160.0 348. C2H5CHO+C2H5O2<=>C2H5CO+C2H5O2H 3.01E+12 0.0 11920.0 Reverse Arrhenius coefficients: 2.02E+13 -0.5 8264.0 349. C2H5CHO+O2<=>C2H5CO+HO2 1.00E+13 0.0 40700.0 Reverse Arrhenius coefficients: 3.13E+10 0.3 -58.0 350. C2H5CHO+CH3CO3<=>C2H5CO+CH3CO3H 3.01E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.65E+12 0.0 12630.0 351. C2H5CHO+C2H3<=>C2H5CO+C2H4 1.70E+12 0.0 8440.0 Reverse Arrhenius coefficients: 3.20E+12 0.1 30130.0 352. C2H5CO<=>C2H5+CO 2.46E+23 -3.2 17550.0 Reverse Arrhenius coefficients: 1.51E+11 0.0 4810.0 353. CH3OCH3(+M)<=>CH3+CH3O(+M) 7.25E+21 -0.9 80250.0 Low pressure limit: 0.35000E+61 -0.11560E+02 0.10100E+06 TROE centering: 0.18300E+00 0.13000E+01 0.13000E+05 0.67100E+10 354. CH3OCH3+OH<=>CH3OCH2+H2O 6.32E+06 2.0 -651.7 Reverse Arrhenius coefficients: 7.85E+04 2.2 21210.0 355. CH3OCH3+H<=>CH3OCH2+H2 7.72E+06 2.1 3384.0 Reverse Arrhenius coefficients: 9.04E+03 2.4 10360.0 356. CH3OCH3+O<=>CH3OCH2+OH 7.75E+08 1.4 2250.0 Reverse Arrhenius coefficients: 4.71E+05 1.7 7810.0 357. CH3OCH3+HO2<=>CH3OCH2+H2O2 1.68E+13 0.0 17690.0 Reverse Arrhenius coefficients: 1.14E+13 -0.4 8657.0 358. CH3OCH3+CH3O2<=>CH3OCH2+CH3O2H 1.68E+13 0.0 17690.0 Reverse Arrhenius coefficients: 2.22E+14 -0.8 7062.0 359. CH3OCH3+CH3<=>CH3OCH2+CH4 1.44E-06 5.7 5700.0 Reverse Arrhenius coefficients: 1.54E-06 5.6 14210.0 360. CH3OCH3+O2<=>CH3OCH2+HO2 4.10E+13 0.0 44910.0 Reverse Arrhenius coefficients: 2.52E+11 0.0 -2806.0 361. CH3OCH3+CH3O<=>CH3OCH2+CH3OH 6.02E+11 0.0 4074.0 Reverse Arrhenius coefficients: 7.38E+10 -0.3 10260.0 362. CH3OCH3+CH3OCH2O2<=>CH3OCH2+CH3OCH2O2H 5.00E+12 0.0 17690.0 Reverse Arrhenius coefficients: 6.43E+13 -0.8 7258.0 363. CH3OCH3+O2CHO<=>CH3OCH2+HO2CHO 4.42E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.72E+06 1.7 5832.0 364. CH3OCH3+OCHO<=>CH3OCH2+HOCHO 1.00E+13 0.0 17690.0 Reverse Arrhenius coefficients: 7.20E+12 -0.3 33130.0 365. CH3OCH2<=>CH2O+CH3 1.60E+13 0.0 25500.0 Reverse Arrhenius coefficients: 2.60E+05 1.9 16670.0 366. CH3OCH2+CH3O<=>CH3OCH3+CH2O 2.41E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.25E+14 0.3 78540.0 367. CH3OCH2+CH2O<=>CH3OCH3+HCO 5.49E+03 2.8 5862.0 Reverse Arrhenius coefficients: 2.77E+04 2.7 14080.0 368. CH3OCH2+CH3CHO<=>CH3OCH3+CH3CO 1.26E+12 0.0 8499.0 Reverse Arrhenius coefficients: 7.75E+11 0.3 16980.0 369. CH3OCH2O2<=>CH3OCH2+O2 4.44E+19 -1.6 36240.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.0 370. CH3OCH2O2+CH2O<=>CH3OCH2O2H+HCO 1.00E+12 0.0 11660.0 Reverse Arrhenius coefficients: 6.48E+13 -0.8 9455.0 371. CH3OCH2O2+CH3CHO<=>CH3OCH2O2H+CH3CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.0 372. CH3OCH2O2+CH3OCH2O2<=>O2+CH3OCH2O+CH3OCH2O 2.21E+23 -4.5 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 373. CH3OCH2O2H<=>CH3OCH2O+OH 2.11E+22 -2.1 43830.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.0 374. CH3OCH2O<=>CH3O+CH2O 4.38E+19 -2.0 25190.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.0 375. CH3OCH2O+O2<=>CH3OCHO+HO2 5.00E+10 0.0 500.0 Reverse Arrhenius coefficients: 1.09E+10 0.0 46480.0 376. CH3OCH2O<=>CH3OCHO+H 6.06E+12 0.1 8218.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 7838.0 377. CH3OCH2O2<=>CH2OCH2O2H 6.00E+10 0.0 21580.0 Reverse Arrhenius coefficients: 1.25E+12 -0.8 11120.0 378. CH2OCH2O2H<=>OH+CH2O+CH2O 1.50E+13 0.0 20760.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 379. O2CH2OCH2O2H<=>CH2OCH2O2H+O2 1.92E+19 -1.6 36270.0 Reverse Arrhenius coefficients: 7.00E+11 0.0 0.0 380. O2CH2OCH2O2H<=>HO2CH2OCHO+OH 4.00E+10 0.0 18580.0 Reverse Arrhenius coefficients: 5.04E+03 1.4 59640.0 381. HO2CH2OCHO<=>OCH2OCHO+OH 2.00E+16 0.0 40500.0 Reverse Arrhenius coefficients: 1.00E+15 -0.8 0.0 382. OCH2OCHO<=>CH2O+OCHO 2.90E+19 -2.2 31850.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 11900.0 383. OCH2OCHO<=>HOCH2OCO 1.00E+11 0.0 14000.0 Reverse Arrhenius coefficients: 1.57E+09 0.5 20670.0 384. HOCH2OCO<=>HOCH2O+CO 2.24E+19 -2.0 19690.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4800.0 385. HOCH2OCO<=>CH2OH+CO2 2.41E+17 -1.6 22120.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 35720.0 386. CH3OCHO<=>CH2OCHO+H 8.24E+19 -1.1 102500.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.0 387. CH3OCHO<=>CH3OCO+H 1.32E+19 -1.0 100100.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.0 388. CH3OCHO(+M)<=>CH3OH+CO(+M) 1.00E+14 0.0 62500.0 Low pressure limit: 0.61430E+61 -0.12070E+02 0.75400E+05 TROE centering: 0.78000E+00 0.82800E+10 0.43890E+03 0.67000E+09 389. CH3OCHO<=>CH3O+HCO 5.37E+16 0.0 97090.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 -1000.0 390. CH3OCHO<=>CH3+OCHO 3.21E+17 -0.5 79970.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.0 391. CH3OCHO+O2<=>CH3OCO+HO2 1.00E+13 0.0 49700.0 Reverse Arrhenius coefficients: 2.98E+10 0.3 1.0 392. CH3OCHO+O2<=>CH2OCHO+HO2 2.05E+13 0.0 52000.0 Reverse Arrhenius coefficients: 2.14E+10 0.4 331.0 393. CH3OCHO+OH<=>CH3OCO+H2O 1.58E+07 1.8 934.0 Reverse Arrhenius coefficients: 9.52E+04 2.4 20820.0 394. CH3OCHO+OH<=>CH2OCHO+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.11E+07 1.6 19500.0 395. CH3OCHO+HO2<=>CH3OCO+H2O2 4.82E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.58E+03 2.6 2899.0 396. CH3OCHO+HO2<=>CH2OCHO+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.75E+03 2.6 3513.0 397. CH3OCHO+O<=>CH3OCO+OH 2.76E+05 2.5 2830.0 Reverse Arrhenius coefficients: 8.13E+01 3.1 6408.0 398. CH3OCHO+O<=>CH2OCHO+OH 9.80E+05 2.4 4750.0 Reverse Arrhenius coefficients: 1.01E+02 3.1 6358.0 399. CH3OCHO+H<=>CH3OCO+H2 6.50E+05 2.4 4471.0 Reverse Arrhenius coefficients: 3.69E+02 3.1 9461.0 400. CH3OCHO+H<=>CH2OCHO+H2 6.65E+05 2.5 6756.0 Reverse Arrhenius coefficients: 1.33E+02 3.2 9776.0 401. CH3OCHO+CH3<=>CH3OCO+CH4 7.55E-01 3.5 5481.0 Reverse Arrhenius coefficients: 3.91E-01 3.7 12010.0 402. CH3OCHO+CH3<=>CH2OCHO+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 8.22E-02 3.9 11710.0 403. CH3OCHO+CH3O<=>CH3OCO+CH3OH 5.48E+11 0.0 5000.0 Reverse Arrhenius coefficients: 6.68E+09 0.5 10220.0 404. CH3OCHO+CH3O<=>CH2OCHO+CH3OH 2.17E+11 0.0 6458.0 Reverse Arrhenius coefficients: 9.29E+08 0.5 9705.0 405. CH3OCHO+CH3O2<=>CH3OCO+CH3O2H 4.82E+03 2.6 13910.0 Reverse Arrhenius coefficients: 3.08E+04 2.1 1304.0 406. CH3OCHO+CH3O2<=>CH2OCHO+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.34E+04 2.1 1918.0 407. CH3OCHO+HCO<=>CH3OCO+CH2O 5.40E+06 1.9 17010.0 Reverse Arrhenius coefficients: 5.20E+05 2.3 6806.0 408. CH3OCHO+HCO<=>CH2OCHO+CH2O 1.02E+05 2.5 18430.0 Reverse Arrhenius coefficients: 3.46E+03 2.9 6261.0 409. CH2OCHO<=>CH3OCO 2.62E+11 0.0 38180.0 Reverse Arrhenius coefficients: 1.63E+12 -0.2 40670.0 410. CH3OCO<=>CH3+CO2 3.59E+14 -0.2 16010.0 Reverse Arrhenius coefficients: 4.76E+07 1.5 34700.0 411. CH3OCO<=>CH3O+CO 1.43E+15 0.0 23770.0 Reverse Arrhenius coefficients: 1.55E+06 2.0 5730.0 412. CH2OCHO<=>CH2O+HCO 4.66E+12 0.1 27440.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 11900.0 413. C3H8(+M)<=>CH3+C2H5(+M) 1.29E+37 -5.8 97380.0 Low pressure limit: 0.56400E+75 -0.15740E+02 0.98714E+05 TROE centering: 0.31000E+00 0.50000E+02 0.30000E+04 0.90000E+04 H2 Enhanced by 2.000E+00 H2O Enhanced by 6.000E+00 AR Enhanced by 7.000E-01 CO Enhanced by 1.500E+00 CO2 Enhanced by 2.000E+00 CH4 Enhanced by 2.000E+00

SUPPLEMENTAL MATERIAL C2H6 Enhanced by 3.000E+00 HE Enhanced by 7.000E-01 414. C3H8<=>NC3H7+H 3.75E+17 -0.4 101200.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.0 415. C3H8<=>IC3H7+H 2.38E+18 -0.7 98680.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.0 416. C3H8+O2<=>IC3H7+HO2 2.00E+13 0.0 49640.0 Reverse Arrhenius coefficients: 1.76E+09 0.6 -169.0 417. C3H8+O2<=>NC3H7+HO2 6.00E+13 0.0 52290.0 Reverse Arrhenius coefficients: 3.35E+10 0.3 -59.0 418. H+C3H8<=>H2+IC3H7 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 2.19E+01 3.3 9351.0 419. H+C3H8<=>H2+NC3H7 1.33E+06 2.5 6756.0 Reverse Arrhenius coefficients: 1.42E+02 3.2 9096.0 420. C3H8+O<=>IC3H7+OH 5.49E+05 2.5 3140.0 Reverse Arrhenius coefficients: 4.79E+00 3.4 6608.0 421. C3H8+O<=>NC3H7+OH 3.71E+06 2.4 5505.0 Reverse Arrhenius coefficients: 2.05E+02 3.0 6433.0 422. C3H8+OH<=>NC3H7+H2O 1.05E+10 1.0 1586.0 Reverse Arrhenius coefficients: 1.19E+07 1.5 18820.0 423. C3H8+OH<=>IC3H7+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 8.33E+03 2.5 19740.0 424. C3H8+HO2<=>IC3H7+H2O2 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 5.72E+02 2.8 3742.0 425. C3H8+HO2<=>NC3H7+H2O2 8.10E+04 2.5 16690.0 Reverse Arrhenius coefficients: 5.00E+03 2.4 3030.0 426. CH3+C3H8<=>CH4+IC3H7 6.40E+04 2.2 7520.0 Reverse Arrhenius coefficients: 9.82E+02 2.7 13940.0 427. CH3+C3H8<=>CH4+NC3H7 9.04E-01 3.6 7154.0 Reverse Arrhenius coefficients: 8.79E-02 3.8 11030.0 428. IC3H7+C3H8<=>NC3H7+C3H8 3.00E+10 0.0 12900.0 Reverse Arrhenius coefficients: 3.00E+10 0.0 12900.0 429. C2H3+C3H8<=>C2H4+IC3H7 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.31E+11 0.0 17800.0 430. C2H3+C3H8<=>C2H4+NC3H7 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.31E+11 0.0 17800.0 431. C2H5+C3H8<=>C2H6+IC3H7 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 3.63E+10 0.0 9934.0 432. C2H5+C3H8<=>C2H6+NC3H7 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 3.63E+10 0.0 9934.0 433. C3H8+C3H5-A<=>NC3H7+C3H6 7.94E+11 0.0 20500.0 Reverse Arrhenius coefficients: 5.37E+16 -1.3 13400.0 434. C3H8+C3H5-A<=>IC3H7+C3H6 7.94E+11 0.0 16200.0 Reverse Arrhenius coefficients: 5.37E+16 -1.3 9095.0 435. C3H8+CH3O<=>NC3H7+CH3OH 3.00E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.22E+10 0.0 9182.0 436. C3H8+CH3O<=>IC3H7+CH3OH 3.00E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.22E+10 0.0 9182.0 437. CH3O2+C3H8<=>CH3O2H+NC3H7 8.10E+04 2.5 16690.0 Reverse Arrhenius coefficients: 9.72E+04 2.0 1435.0 438. CH3O2+C3H8<=>CH3O2H+IC3H7 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 1.11E+04 2.3 2147.0 439. C2H5O2+C3H8<=>C2H5O2H+NC3H7 8.10E+04 2.5 16690.0 Reverse Arrhenius coefficients: 9.74E+04 2.0 1439.0 440. C2H5O2+C3H8<=>C2H5O2H+IC3H7 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 1.12E+04 2.3 2151.0 441. NC3H7O2+C3H8<=>NC3H7O2H+NC3H7 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 2.09E+13 -0.5 5000.0 442. NC3H7O2+C3H8<=>NC3H7O2H+IC3H7 2.00E+12 0.0 17000.0 Reverse Arrhenius coefficients: 3.87E+11 -0.2 4080.0 443. IC3H7O2+C3H8<=>IC3H7O2H+NC3H7 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 2.09E+13 -0.5 5000.0 444. IC3H7O2+C3H8<=>IC3H7O2H+IC3H7 2.00E+12 0.0 17000.0 Reverse Arrhenius coefficients: 3.88E+11 -0.2 4080.0 445. C3H8+CH3CO3<=>IC3H7+CH3CO3H 2.00E+12 0.0 17000.0 Reverse Arrhenius coefficients: 3.10E+10 0.3 8650.0 446. C3H8+CH3CO3<=>NC3H7+CH3CO3H 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 1.67E+12 0.0 9570.0 447. C3H8+O2CHO<=>NC3H7+HO2CHO 5.52E+04 2.5 16480.0 Reverse Arrhenius coefficients: 1.19E-08 5.5 -1920.0 448. C3H8+O2CHO<=>IC3H7+HO2CHO 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 7.84E-06 4.7 -30.0 449. IC3H7<=>H+C3H6 6.92E+13 0.0 37690.0 Reverse Arrhenius coefficients: 2.64E+13 0.0 2160.0 450. IC3H7+H<=>C2H5+CH3 2.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 4.34E+07 1.2 8620.0 451. IC3H7+O2<=>C3H6+HO2 4.50E-19 0.0 5020.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.0 452. IC3H7+OH<=>C3H6+H2O 2.41E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.98E+12 0.6 83820.0 453. IC3H7+O<=>CH3COCH3+H 4.82E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.29E+16 -0.2 79380.0 454. IC3H7+O<=>CH3CHO+CH3 4.82E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.28E+11 0.8 86480.0 455. NC3H7<=>CH3+C2H4 9.24E+10 0.9 30500.0 456. NC3H7<=>H+C3H6 4.14E+12 0.2 35600.0 457. NC3H7+O2<=>C3H6+HO2 3.00E-19 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.0 458. C2H5CHO+NC3H7<=>C2H5CO+C3H8 1.70E+12 0.0 8440.0 Reverse Arrhenius coefficients: 1.90E+14 0.0 18790.0 459. C2H5CHO+IC3H7<=>C2H5CO+C3H8 1.70E+12 0.0 8440.0 Reverse Arrhenius coefficients: 1.90E+14 0.0 18790.0 460. C2H5CHO+C3H5-A<=>C2H5CO+C3H6 1.70E+12 0.0 8440.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 28000.0 461. C3H6<=>C2H3+CH3 2.73E+62 -13.3 123200.0 Reverse Arrhenius coefficients: 6.82E+53 -11.8 20550.0 462. C3H6<=>C3H5-A+H 2.01E+61 -13.3 118500.0 Reverse Arrhenius coefficients: 2.04E+61 -13.5 30610.0 463. C3H6<=>C3H5-S+H 7.71E+69 -16.1 140000.0 Reverse Arrhenius coefficients: 2.55E+67 -15.9 28690.0 464. C3H6<=>C3H5-T+H 5.62E+71 -16.6 139300.0 Reverse Arrhenius coefficients: 4.26E+68 -16.2 30080.0 465. C3H6+O<=>C2H5+HCO 1.58E+07 1.8 -1216.0 Reverse Arrhenius coefficients: 9.19E+01 2.7 23110.0 466. C3H6+O<=>CH2CO+CH3+H 2.50E+07 1.8 76.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 467. C3H6+O=>CH3CHCO+H+H 2.50E+07 1.8 76.0 468. C3H6+O<=>C3H5-A+OH 5.24E+11 0.7 5884.0 Reverse Arrhenius coefficients: 1.10E+11 0.7 20150.0 469. C3H6+O<=>C3H5-S+OH 1.20E+11 0.7 8959.0 Reverse Arrhenius coefficients: 8.24E+07 1.2 -207.0 470. C3H6+O<=>C3H5-T+OH 6.03E+10 0.7 7632.0 Reverse Arrhenius coefficients: 9.48E+06 1.4 576.0 471. C3H6+OH<=>C3H5-A+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 1.34E+07 1.9 30270.0 472. C3H6+OH<=>C3H5-S+H2O 2.11E+06 2.0 2778.0 Reverse Arrhenius coefficients: 2.96E+04 2.4 9916.0 473. C3H6+OH<=>C3H5-T+H2O 1.11E+06 2.0 1451.0 Reverse Arrhenius coefficients: 3.56E+03 2.6 10700.0 474. C3H6+HO2<=>C3H5-A+H2O2 2.70E+04 2.5 12340.0 Reverse Arrhenius coefficients: 6.34E+06 1.8 12010.0 475. C3H6+HO2<=>C3H5-S+H2O2 1.80E+04 2.5 27620.0 Reverse Arrhenius coefficients: 1.38E+04 2.3 3864.0 476. C3H6+HO2<=>C3H5-T+H2O2 9.00E+03 2.5 23590.0 Reverse Arrhenius coefficients: 1.58E+03 2.5 1941.0 477. C3H6+H<=>C3H5-A+H2 1.73E+05 2.5 2492.0 Reverse Arrhenius coefficients: 7.02E+04 2.5 18170.0 478. C3H6+H<=>C3H5-S+H2 8.04E+05 2.5 12280.0 Reverse Arrhenius coefficients: 1.06E+03 3.0 4526.0 479. C3H6+H<=>C3H5-T+H2 4.05E+05 2.5 9794.0 Reverse Arrhenius coefficients: 1.23E+02 3.2 4150.0 480. C3H6+H<=>C2H4+CH3 2.30E+13 0.0 2547.0 Reverse Arrhenius coefficients: 7.27E+07 1.3 11200.0 481. C3H6+O2<=>C3H5-A+HO2 4.00E+12 0.0 39900.0 Reverse Arrhenius coefficients: 8.51E+12 -0.3 887.0 482. C3H6+O2<=>C3H5-S+HO2 2.00E+12 0.0 62900.0 Reverse Arrhenius coefficients: 1.39E+10 0.2 459.0 483. C3H6+O2<=>C3H5-T+HO2 1.40E+12 0.0 60700.0 Reverse Arrhenius coefficients: 2.22E+09 0.3 369.0 484. C3H6+CH3<=>C3H5-A+CH4 2.21E+00 3.5 5675.0 Reverse Arrhenius coefficients: 8.18E+02 3.1 22890.0 485. C3H6+CH3<=>C3H5-S+CH4 1.35E+00 3.5 12850.0 Reverse Arrhenius coefficients: 1.63E+00 3.6 6635.0 486. C3H6+CH3<=>C3H5-T+CH4 8.40E-01 3.5 11660.0 Reverse Arrhenius coefficients: 2.32E-01 3.7 7552.0 487. C3H6+C2H5<=>C3H5-A+C2H6 1.00E+11 0.0 9800.0 Reverse Arrhenius coefficients: 5.37E+05 1.3 16440.0 488. C3H6+CH3CO3<=>C3H5-A+CH3CO3H 3.24E+11 0.0 14900.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 15000.0 489. C3H6+CH3O2<=>C3H5-A+CH3O2H 3.24E+11 0.0 14900.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 15000.0 490. C3H6+HO2<=>C3H6O1-2+OH 1.29E+12 0.0 14900.0 Reverse Arrhenius coefficients: 1.00E-10 0.0 0.0 491. C3H6+C2H5O2<=>C3H5-A+C2H5O2H 3.24E+11 0.0 14900.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 15000.0 492. C3H6+NC3H7O2<=>C3H5-A+NC3H7O2H 3.24E+11 0.0 14900.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 15000.0 493. C3H6+IC3H7O2<=>C3H5-A+IC3H7O2H 3.24E+11 0.0 14900.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 15000.0 494. C3H6OH<=>C3H6+OH 4.34E+15 -0.8 27900.0 Reverse Arrhenius coefficients: 9.93E+11 0.0 -960.0 495. HOC3H6O2<=>C3H6OH+O2 2.87E+19 -1.9 34290.0 Reverse Arrhenius coefficients: 1.20E+11 0.0 -1100.0 496. HOC3H6O2<=>CH3CHO+CH2O+OH 1.25E+10 0.0 18900.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 497. C3H5-A<=>C2H2+CH3 2.40E+48 -9.9 82080.0 Reverse Arrhenius coefficients: 2.61E+46 -9.8 36950.0 498. C3H5-A<=>C3H4-A+H 4.19E+13 0.2 61930.0 Reverse Arrhenius coefficients: 2.40E+11 0.7 3007.0 499. C3H5-A+HO2<=>C3H5O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.60E+12 0.1 11660.0 500. C3H5-A+CH3O2<=>C3H5O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.99E+15 -0.7 17020.0 501. C3H5-A+H<=>C3H4-A+H2 1.23E+03 3.0 2582.0 Reverse Arrhenius coefficients: 2.82E+00 3.8 47220.0 502. C3H5-A+CH3<=>C3H4-A+CH4 1.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 4.92E+12 0.1 47780.0 503. C3H5-A+C2H5<=>C2H6+C3H4-A 4.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 1.80E+12 0.1 40330.0 504. C3H5-A+C2H5<=>C2H4+C3H6 4.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 6.94E+16 -1.3 52800.0 505. C3H5-A+C2H3<=>C2H4+C3H4-A 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.62E+13 0.1 48190.0 506. C3H4-A+C3H6<=>C3H5-A+C3H5-A 4.75E+08 0.7 28700.0 Reverse Arrhenius coefficients: 8.43E+10 0.0 -262.0 507. C3H5-A+O2<=>C3H4-A+HO2 2.18E+21 -2.9 30760.0 Reverse Arrhenius coefficients: 2.61E+19 -2.4 20710.0 508. C3H5-A+O2<=>CH2CHO+CH2O 7.14E+15 -1.2 21050.0 Reverse Arrhenius coefficients: 4.94E+16 -1.4 88620.0 509. C3H5-A+O2<=>C2H3CHO+OH 2.47E+13 -0.4 23020.0 Reverse Arrhenius coefficients: 1.99E+13 -0.6 75140.0 510. C3H5-A+O2<=>C2H2+CH2O+OH 9.72E+29 -5.7 21450.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 511. C3H5-S<=>C2H2+CH3 9.60E+39 -8.2 42030.0 Reverse Arrhenius coefficients: 1.61E+40 -8.6 20330.0 512. C3H5-S<=>C3H4-P+H 4.19E+15 -0.8 37480.0 Reverse Arrhenius coefficients: 5.80E+12 0.0 3100.0 513. C3H5-S+O2<=>CH3CHO+HCO 4.34E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.61E+17 -1.3 96530.0 514. C3H5-S+H<=>C3H4-A+H2 3.33E+12 0.0 0.0 Reverse Arrhenius coefficients: 7.98E+12 0.1 68860.0 515. C3H5-S+CH3<=>C3H4-A+CH4 1.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 6.25E+12 0.1 69340.0 516. C3H5-T<=>C2H2+CH3 2.16E+40 -8.3 45110.0 Reverse Arrhenius coefficients: 1.61E+40 -8.6 20330.0 517. C3H5-T<=>C3H4-A+H 3.51E+14 -0.4 40890.0 Reverse Arrhenius coefficients: 8.50E+12 0.0 2000.0 518. C3H5-T<=>C3H4-P+H 1.08E+15 -0.6 38490.0 Reverse Arrhenius coefficients: 6.50E+12 0.0 2000.0 519. C3H5-T+O2<=>C3H4-A+HO2 1.89E+30 -5.6 15540.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 3.04E+31 -5.9 26810.0 520. C3H5-T+O2<=>CH3COCH2+O 3.81E+17 -1.4 5580.0 Reverse Arrhenius coefficients: 2.00E+11 0.0 17500.0 521. C3H5-T+O2<=>CH2O+CH3CO 3.71E+25 -4.0 7043.0 Reverse Arrhenius coefficients: 1.87E+27 -4.4 101200.0 522. C3H5-T+H<=>C3H4-P+H2 3.33E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.14E+16 -0.9 71050.0 523. C3H5-T+CH3<=>C3H4-P+CH4 1.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 1.68E+16 -0.9 71530.0 524. C3H4-A+M<=>C3H3+H+M 1.14E+17 0.0 70000.0 Reverse Arrhenius coefficients: 2.00E+17 0.0 -1000.0 525. C3H4-A<=>C3H4-P 1.20E+15 0.0 92400.0 Reverse Arrhenius coefficients: 3.22E+18 -1.0 96590.0 526. C3H4-A+O2<=>C3H3+HO2 4.00E+13 0.0 39160.0 Reverse Arrhenius coefficients: 3.17E+11 -0.1 311.0 527. C3H4-A+HO2<=>CH2CO+CH2+OH 4.00E+12 0.0 19000.0 Reverse Arrhenius coefficients: 1.00E+00 0.0 0.0 528. C3H4-A+OH<=>CH2CO+CH3 3.12E+12 0.0 -397.0 Reverse Arrhenius coefficients: 1.81E+17 -1.4 36070.0 529. C3H4-A+OH<=>C3H3+H2O 1.00E+07 2.0 1000.0 Reverse Arrhenius coefficients: 1.60E+05 2.2 31730.0 530. C3H4-A+O<=>C2H4+CO 7.80E+12 0.0 1600.0 Reverse Arrhenius coefficients: 3.27E+08 1.3 121900.0 531. C3H4-A+O<=>C2H2+CH2O 3.00E-03 4.6 -4243.0 Reverse Arrhenius coefficients: 2.32E+02 3.2 81190.0 532. C3H4-A+H<=>C3H3+H2 2.00E+07 2.0 5000.0 Reverse Arrhenius coefficients: 3.02E+04 2.3 20840.0 533. C3H4-A+CH3<=>C3H3+CH4 3.67E-02 4.0 6830.0 Reverse Arrhenius coefficients: 5.06E-02 3.8 24210.0 534. C3H4-A+C3H5-A<=>C3H3+C3H6 2.00E+11 0.0 7700.0 Reverse Arrhenius coefficients: 2.64E+19 -2.7 42140.0 535. C3H4-A+C2H<=>C3H3+C2H2 1.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.42E+16 -1.4 53820.0 536. C3H4-P+M<=>C3H3+H+M 1.14E+17 0.0 70000.0 Reverse Arrhenius coefficients: 2.00E+17 0.0 -1000.0 537. C3H4-P<=>C2H+CH3 4.20E+16 0.0 100000.0 Reverse Arrhenius coefficients: 1.02E+12 0.6 -1600.0 538. C3H4-P+O2<=>HCCO+OH+CH2 1.00E+07 1.5 30100.0 Reverse Arrhenius coefficients: 1.00E+00 0.0 0.0 539. C3H4-P+O2<=>C3H3+HO2 2.00E+13 0.0 41600.0 Reverse Arrhenius coefficients: 6.37E+11 -0.2 1021.0 540. C3H4-P+HO2<=>C2H4+CO+OH 3.00E+12 0.0 19000.0 Reverse Arrhenius coefficients: 1.00E+00 0.0 0.0 541. C3H4-P+OH<=>C3H3+H2O 1.00E+07 2.0 1000.0 Reverse Arrhenius coefficients: 6.44E+05 2.0 30000.0 542. C3H4-P+OH<=>CH2CO+CH3 5.00E-04 4.5 -1000.0 Reverse Arrhenius coefficients: 1.08E-02 4.1 31280.0 543. C3H4-P+O<=>C2H3+HCO 3.20E+12 0.0 2010.0 Reverse Arrhenius coefficients: 2.55E+12 -0.4 32350.0 544. C3H4-P+O<=>HCCO+CH3 9.60E+08 1.0 0.0 Reverse Arrhenius coefficients: 1.43E+04 1.8 26990.0 545. C3H4-P+O=>HCCO+CH2+H 3.20E-19 0.0 2010.0 546. C3H4-P+O<=>C3H3+OH 7.65E+08 1.5 8600.0 Reverse Arrhenius coefficients: 2.18E+08 1.3 22470.0 547. C3H4-P+H<=>C3H3+H2 2.00E+07 2.0 5000.0 Reverse Arrhenius coefficients: 1.22E+05 2.1 19110.0 548. C3H4-P+CH3<=>C3H3+CH4 1.50E+00 3.5 5600.0 Reverse Arrhenius coefficients: 8.31E+00 3.2 21250.0 549. C3H4-P+C2H<=>C3H3+C2H2 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 5.30E+11 -0.4 49630.0 550. C3H4-P+C2H3<=>C3H3+C2H4 1.00E+12 0.0 7700.0 Reverse Arrhenius coefficients: 9.54E+11 -0.4 52450.0 551. C3H4-P+C3H5-A<=>C3H3+C3H6 1.00E+12 0.0 7700.0 Reverse Arrhenius coefficients: 4.93E+16 -1.7 37950.0 552. C3H3+O<=>CH2O+C2H 1.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 5.45E+14 0.0 31610.0 553. C3H3+OH<=>C3H2+H2O 1.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.34E+15 0.0 15680.0 554. C3H3+O2<=>CH2CO+HCO 3.01E+10 0.0 2870.0 Reverse Arrhenius coefficients: 4.88E+11 0.0 59470.0 555. C3H3+CH3<=>C2H5+C2H 4.30E+15 -0.8 45630.0 Reverse Arrhenius coefficients: 1.81E+13 0.0 0.0 556. C3H2+O2<=>HCO+HCCO 5.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.33E+14 -0.2 77190.0 557. C3H4-A+HO2<=>C2H4+CO+OH 1.00E+12 0.0 14000.0 Reverse Arrhenius coefficients: 1.00E+00 0.0 0.0 558. C3H4-A+HO2<=>C3H3+H2O2 3.00E+13 0.0 14000.0 Reverse Arrhenius coefficients: 1.55E+16 -1.4 44000.0 559. C2H2+CH3<=>C3H4-P+H 4.23E+08 1.1 12090.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 4000.0 560. C2H2+CH3<=>C3H4-A+H 6.74E+19 -2.1 31590.0 Reverse Arrhenius coefficients: 6.41E+25 -3.3 21770.0 561. C3H3+H<=>C3H2+H2 5.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 6.00E+07 1.4 4110.0 562. C3H2+OH<=>C2H2+HCO 5.00E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.28E+16 -0.3 75020.0 563. C3H2+O2<=>HCCO+CO+H 5.00E+13 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 564. CH3CHCO+OH<=>C2H5+CO2 1.73E+12 0.0 -1010.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 565. CH3CHCO+OH<=>SC2H4OH+CO 2.00E+12 0.0 -1010.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 566. CH3CHCO+H<=>C2H5+CO 4.40E+12 0.0 1459.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 567. CH3CHCO+O<=>CH3CHO+CO 3.20E+12 0.0 -437.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 568. NC3H7+HO2<=>NC3H7O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.22E+15 -0.7 25310.0 569. IC3H7+HO2<=>IC3H7O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.05E+16 -0.6 27320.0 570. CH3O2+NC3H7<=>CH3O+NC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.89E+14 -0.4 29550.0 571. CH3O2+IC3H7<=>CH3O+IC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.57E+14 -0.3 31560.0 572. NC3H7O2<=>NC3H7+O2 2.40E+20 -1.6 35960.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.0 573. IC3H7O2<=>IC3H7+O2 3.13E+22 -2.2 38160.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.0 574. NC3H7O2+CH2O<=>NC3H7O2H+HCO 5.60E+12 0.0 13600.0 Reverse Arrhenius coefficients: 8.00E+11 0.0 10000.0 575. NC3H7O2+CH3CHO<=>NC3H7O2H+CH3CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.0 576. IC3H7O2+CH2O<=>IC3H7O2H+HCO 5.60E+12 0.0 13600.0 Reverse Arrhenius coefficients: 8.00E+11 0.0 10000.0 577. IC3H7O2+CH3CHO<=>IC3H7O2H+CH3CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.0 578. NC3H7O2+HO2<=>NC3H7O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.84E+13 -0.8 33610.0 579. IC3H7O2+HO2<=>IC3H7O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.86E+13 -0.8 33610.0 580. C2H4+NC3H7O2<=>C2H3+NC3H7O2H 1.13E+13 0.0 30430.0 Reverse Arrhenius coefficients: 3.00E+12 0.0 11500.0 581. C2H4+IC3H7O2<=>C2H3+IC3H7O2H 1.13E+13 0.0 30430.0 Reverse Arrhenius coefficients: 3.00E+12 0.0 11500.0 582. CH3OH+NC3H7O2<=>CH2OH+NC3H7O2H 6.30E+12 0.0 19360.0 Reverse Arrhenius coefficients: 1.00E+09 0.0 10000.0 583. CH3OH+IC3H7O2<=>CH2OH+IC3H7O2H 6.30E+12 0.0 19360.0 Reverse Arrhenius coefficients: 1.00E+09 0.0 10000.0 584. C2H3CHO+NC3H7O2<=>C2H3CO+NC3H7O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.0 585. C2H3CHO+IC3H7O2<=>C2H3CO+IC3H7O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.0 586. CH4+NC3H7O2<=>CH3+NC3H7O2H 1.12E+13 0.0 24640.0 Reverse Arrhenius coefficients: 7.43E+11 0.0 5500.0 587. CH4+IC3H7O2<=>CH3+IC3H7O2H 1.12E+13 0.0 24640.0 Reverse Arrhenius coefficients: 7.43E+11 0.0 5500.0 588. NC3H7O2+CH3O2<=>NC3H7O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 589. IC3H7O2+CH3O2<=>IC3H7O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 590. H2+NC3H7O2<=>H+NC3H7O2H 3.01E+13 0.0 26030.0 Reverse Arrhenius coefficients: 4.80E+13 0.0 7950.0 591. H2+IC3H7O2<=>H+IC3H7O2H 3.01E+13 0.0 26030.0 Reverse Arrhenius coefficients: 4.80E+13 0.0 7950.0 592. IC3H7O2+C2H6<=>IC3H7O2H+C2H5 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 593. NC3H7O2+C2H6<=>NC3H7O2H+C2H5 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 594. IC3H7O2+C2H5CHO<=>IC3H7O2H+C2H5CO 2.00E+11 0.0 9500.0 Reverse Arrhenius coefficients: 5.00E+09 0.0 10000.0 595. NC3H7O2+C2H5CHO<=>NC3H7O2H+C2H5CO 2.00E+11 0.0 9500.0 Reverse Arrhenius coefficients: 5.00E+09 0.0 10000.0 596. IC3H7O2+CH3CO3<=>IC3H7O+CH3CO2+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 597. NC3H7O2+CH3CO3<=>NC3H7O+CH3CO2+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 598. IC3H7O2+C2H5O2<=>IC3H7O+C2H5O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 599. NC3H7O2+C2H5O2<=>NC3H7O+C2H5O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 600. IC3H7O2+IC3H7O2<=>O2+IC3H7O+IC3H7O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 601. NC3H7O2+NC3H7O2<=>O2+NC3H7O+NC3H7O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 602. IC3H7O2+NC3H7O2<=>IC3H7O+NC3H7O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 603. IC3H7O2+CH3<=>IC3H7O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.14E+11 0.7 26720.0 604. IC3H7O2+C2H5<=>IC3H7O+C2H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.63E+13 0.1 29130.0 605. IC3H7O2+IC3H7<=>IC3H7O+IC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.78E+13 0.3 29800.0 606. IC3H7O2+NC3H7<=>IC3H7O+NC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.64E+13 0.1 27800.0 607. IC3H7O2+C3H5-A<=>IC3H7O+C3H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.24E+09 0.9 14140.0 608. NC3H7O2+CH3<=>NC3H7O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.30E+12 0.0 26920.0 609. NC3H7O2+C2H5<=>NC3H7O+C2H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.54E+14 -0.6 29330.0 610. NC3H7O2+IC3H7<=>NC3H7O+IC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.29E+15 -0.4 30000.0 611. NC3H7O2+NC3H7<=>NC3H7O+NC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.61E+14 -0.6 28000.0 612. NC3H7O2+C3H5-A<=>NC3H7O+C3H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.96E+11 0.2 14340.0 613. NC3H7O2H<=>NC3H7O+OH 1.50E+16 0.0 42500.0 Reverse Arrhenius coefficients: 1.14E+08 1.7 -4034.0 614. IC3H7O2H<=>IC3H7O+OH 9.45E+15 0.0 42600.0 Reverse Arrhenius coefficients: 1.00E+15 -0.8 0.0 615. NC3H7O<=>C2H5+CH2O 2.72E+21 -2.4 15700.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 3496.0 616. NC3H7O<=>C2H5CHO+H 8.90E+10 0.7 19800.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 6260.0 617. IC3H7O<=>CH3+CH3CHO 5.33E+19 -1.7 17140.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9256.0 618. IC3H7O<=>CH3COCH3+H 8.66E+14 -0.5 20080.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 7270.0 619. IC3H7O+O2<=>CH3COCH3+HO2 9.09E+09 0.0 390.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 1.00E+11 0.0 32000.0 620. NC3H7O2<=>C3H6OOH1-2 6.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 1.12E+08 0.6 11720.0 621. NC3H7O2<=>C3H6OOH1-3 1.12E+11 0.0 24400.0 Reverse Arrhenius coefficients: 2.72E+11 -0.5 8936.0 622. IC3H7O2<=>C3H6OOH2-1 1.80E+12 0.0 29400.0 Reverse Arrhenius coefficients: 1.12E+10 0.1 11810.0 623. IC3H7O2<=>C3H6OOH2-2 1.23E+35 -7.0 48880.0 Reverse Arrhenius coefficients: 2.38E+34 -7.1 44940.0 624. C3H6OOH1-2<=>C3H6O1-2+OH 6.00E+11 0.0 22000.0 Reverse Arrhenius coefficients: 1.15E+11 0.5 38370.0 625. C3H6OOH1-3<=>C3H6O1-3+OH 7.50E+10 0.0 15250.0 Reverse Arrhenius coefficients: 1.19E+06 1.8 28710.0 626. C3H6OOH2-1<=>C3H6O1-2+OH 6.00E+11 0.0 22000.0 Reverse Arrhenius coefficients: 2.78E+08 1.2 36090.0 627. C3H6OOH1-2<=>C3H6+HO2 7.83E+15 -1.3 15950.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11000.0 628. C3H6OOH2-1<=>C3H6+HO2 3.24E+18 -2.0 18970.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11750.0 629. C3H6OOH1-3<=>OH+CH2O+C2H4 3.04E+15 -0.8 27400.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 630. C3H6OOH2-1<=>C2H3OOH+CH3 6.54E+27 -5.1 38320.0 Reverse Arrhenius coefficients: 4.46E+22 -4.2 10630.0 631. C3H6OOH1-2<=>C2H4+CH2O+OH 1.31E+33 -7.0 48120.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 632. C3H6OOH2-2<=>CH3COCH3+OH 9.00E+14 0.0 1500.0 Reverse Arrhenius coefficients: 1.02E+14 0.3 36750.0 633. C3H6OOH1-2O2<=>C3H6OOH1-2+O2 2.39E+25 -2.9 40100.0 Reverse Arrhenius coefficients: 5.00E+12 0.0 0.0 634. C3H6OOH1-3O2<=>C3H6OOH1-3+O2 2.85E+20 -1.6 35690.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.0 635. C3H6OOH2-1O2<=>C3H6OOH2-1+O2 5.23E+22 -2.2 37820.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.0 636. C3H6OOH1-2O2<=>C3KET12+OH 6.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 9.25E+04 1.3 48920.0 637. C3H6OOH1-3O2<=>C3KET13+OH 7.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 4.10E+03 1.5 44740.0 638. C3H6OOH2-1O2<=>C3KET21+OH 3.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 1.40E+03 1.8 49750.0 639. C3H6OOH2-1O2<=>C3H51-2,3OOH 1.12E+11 0.0 24400.0 Reverse Arrhenius coefficients: 2.39E+11 -0.5 8920.0 640. C3H6OOH1-2O2<=>C3H51-2,3OOH 9.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 1.91E+12 -0.5 13920.0 641. C3H51-2,3OOH<=>AC3H5OOH+HO2 2.56E+13 -0.5 17770.0 Reverse Arrhenius coefficients: 3.18E+15 -1.2 12040.0 642. C3H52-1,3OOH<=>C3H6OOH1-3O2 1.26E+12 -0.4 13940.0 Reverse Arrhenius coefficients: 6.00E+11 0.0 26850.0 643. C3H52-1,3OOH<=>AC3H5OOH+HO2 1.15E+14 -0.6 17250.0 Reverse Arrhenius coefficients: 1.56E+11 0.1 10200.0 644. C3KET12<=>CH3CHO+HCO+OH 9.45E+15 0.0 43000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 645. C3KET13<=>CH2O+CH2CHO+OH 1.00E+16 0.0 43000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 646. C3KET21<=>CH2O+CH3CO+OH 1.00E+16 0.0 43000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 647. AC3H5OOH<=>C3H5O+OH 3.88E+19 -1.5 45370.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.0 648. C3H5O<=>C2H3CHO+H 1.00E+14 0.0 29100.0 Reverse Arrhenius coefficients: 1.68E+14 -0.2 19690.0 649. C3H5O<=>C2H3+CH2O 1.46E+20 -2.0 35090.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 10600.0 650. C3H5O+O2<=>C2H3CHO+HO2 1.00E+12 0.0 6000.0 Reverse Arrhenius coefficients: 1.29E+11 0.0 32000.0 651. C2H3OOH<=>CH2CHO+OH 8.40E+14 0.0 43000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 0.0 652. C3H6O1-2<=>C2H4+CH2O 6.00E+14 0.0 60000.0 Reverse Arrhenius coefficients: 2.97E+11 1.0 31080.0 653. C3H6O1-2+OH<=>CH2O+C2H3+H2O 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 654. C3H6O1-2+H<=>CH2O+C2H3+H2 2.63E+07 2.0 5000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 655. C3H6O1-2+O<=>CH2O+C2H3+OH 8.43E+13 0.0 5200.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 656. C3H6O1-2+HO2=>CH2O+C2H3+H2O2 1.00E+13 0.0 15000.0 657. C3H6O1-2+CH3O2<=>CH2O+C2H3+CH3O2H 1.00E+13 0.0 19000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 658. C3H6O1-2+CH3<=>CH2O+C2H3+CH4 2.00E+11 0.0 10000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 659. C3H6O1-3<=>C2H4+CH2O 6.00E+14 0.0 60000.0 Reverse Arrhenius coefficients: 2.97E+11 0.0 31080.0 660. C3H6O1-3+OH<=>CH2O+C2H3+H2O 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 661. C3H6O1-3+O<=>CH2O+C2H3+OH 8.43E+13 0.0 5200.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 662. C3H6O1-3+H<=>CH2O+C2H3+H2 2.63E+07 2.0 5000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 663. C3H6O1-3+CH3O2<=>CH2O+C2H3+CH3O2H 1.00E+13 0.0 19000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 664. C3H6O1-3+HO2<=>CH2O+C2H3+H2O2 1.00E+13 0.0 15000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 665. C3H6O1-3+CH3<=>CH2O+C2H3+CH4 2.00E+11 0.0 10000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 666. IC3H7O2<=>C3H6+HO2 1.01E+43 -9.4 41490.0 Reverse Arrhenius coefficients: 1.95E+33 -7.3 16670.0 667. NC3H7O2<=>C3H6+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 1.20E+30 -6.2 20420.0 668. C4H10(+M)<=>C2H5+C2H5(+M) 2.72E+15 0.0 75610.0 Low pressure limit: 0.47200E+19 0.00000E+00 0.49576E+05 TROE centering: 0.72000E+00 0.15000E+04 0.10000E-09 0.10000E+11 669. C4H10(+M)<=>NC3H7+CH3(+M) 4.28E+14 0.0 69900.0 Reverse Arrhenius coefficients: 1.63E+13 0.0 -596.0 Low pressure limit: 0.53400E+18 0.00000E+00 0.42959E+05 TROE centering: 0.72000E+00 0.15000E+04 0.10000E-09 0.10000E+11 670. C4H10<=>PC4H9+H 1.34E+17 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.0 671. C4H10<=>SC4H9+H 1.98E+18 -0.7 98720.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.0 672. C4H10+O2<=>PC4H9+HO2 6.00E+13 0.0 52340.0 Reverse Arrhenius coefficients: 3.38E+10 0.3 -19.0 673. C4H10+O2<=>SC4H9+HO2 4.00E+13 0.0 49800.0 Reverse Arrhenius coefficients: 1.53E+09 0.6 -49.0 674. C4H10+C3H5-A<=>PC4H9+C3H6 7.94E+11 0.0 20500.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 20000.0 675. C4H10+C3H5-A<=>SC4H9+C3H6 3.16E+11 0.0 16400.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 20000.0 676. C4H10+C2H5<=>PC4H9+C2H6 1.58E+11 0.0 12300.0 Reverse Arrhenius coefficients: 3.56E+10 0.0 12920.0 677. C4H10+C2H5<=>SC4H9+C2H6 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 7.12E+10 0.0 9917.0 678. C4H10+C2H3<=>PC4H9+C2H4 1.00E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.57E+12 0.0 25380.0 679. C4H10+C2H3<=>SC4H9+C2H4 8.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.05E+12 0.0 24180.0 680. C4H10+CH3<=>PC4H9+CH4 9.04E-01 3.6 7154.0 Reverse Arrhenius coefficients: 8.85E-02 3.8 11020.0 681. C4H10+CH3<=>SC4H9+CH4 3.02E+00 3.5 5481.0 Reverse Arrhenius coefficients: 2.01E-02 4.0 11860.0 682. C4H10+H<=>PC4H9+H2 1.88E+05 2.8 6280.0 Reverse Arrhenius coefficients: 2.02E+01 3.4 8610.0 683. C4H10+H<=>SC4H9+H2 2.60E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.90E+01 3.4 9311.0 684. C4H10+OH<=>PC4H9+H2O 1.05E+10 1.0 1586.0 Reverse Arrhenius coefficients: 1.20E+07 1.5 18810.0 685. C4H10+OH<=>SC4H9+H2O 9.34E+07 1.6 -35.0 Reverse Arrhenius coefficients: 7.24E+03 2.5 19700.0 686. C4H10+O<=>PC4H9+OH 1.13E+14 0.0 7850.0 Reverse Arrhenius coefficients: 1.48E+13 0.0 12240.0 687. C4H10+O<=>SC4H9+OH 5.62E+13 0.0 5200.0 Reverse Arrhenius coefficients: 7.35E+12 0.0 9590.0 688. C4H10+HO2<=>PC4H9+H2O2 4.08E+01 3.6 17160.0 Reverse Arrhenius coefficients: 2.53E+00 3.5 3490.0 689. C4H10+HO2<=>SC4H9+H2O2 1.26E+02 3.4 13720.0 Reverse Arrhenius coefficients: 5.34E-01 3.6 2558.0 690. C4H10+CH3O<=>PC4H9+CH3OH 3.00E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.22E+10 0.0 50000.0 691. C4H10+CH3O<=>SC4H9+CH3OH 6.00E+11 0.0 7000.0 Reverse Arrhenius coefficients: 2.44E+10 0.0 50000.0 692. C4H10+C2H5O<=>PC4H9+C2H5OH 3.00E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 9000.0 693. C4H10+C2H5O<=>SC4H9+C2H5OH 6.00E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 9000.0 694. C4H10+PC4H9<=>SC4H9+C4H10 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.0 695. C4H10+CH3CO3<=>PC4H9+CH3CO3H 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 696. C4H10+CH3CO3<=>SC4H9+CH3CO3H 1.12E+13 0.0 17700.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 697. C4H10+O2CHO<=>PC4H9+HO2CHO 1.68E+13 0.0 20440.0 Reverse Arrhenius coefficients: 3.68E+00 3.0 2505.0 698. C4H10+O2CHO<=>SC4H9+HO2CHO 1.12E+13 0.0 17690.0 Reverse Arrhenius coefficients: 7.60E+03 2.1 4266.0 699. CH3O2+C4H10<=>CH3O2H+PC4H9 1.39E+00 4.0 18280.0 Reverse Arrhenius coefficients: 1.68E+00 3.5 3016.0 700. CH3O2+C4H10<=>CH3O2H+SC4H9 2.04E+01 3.6 14810.0 Reverse Arrhenius coefficients: 1.68E+00 3.4 2050.0 701. C2H5O2+C4H10<=>C2H5O2H+PC4H9 4.08E+01 3.6 17160.0 Reverse Arrhenius coefficients: 4.94E+01 3.1 1899.0 702. C2H5O2+C4H10<=>C2H5O2H+SC4H9 1.26E+02 3.4 13720.0 Reverse Arrhenius coefficients: 1.04E+01 3.2 967.0 703. NC3H7O2+C4H10<=>NC3H7O2H+PC4H9 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 704. NC3H7O2+C4H10<=>NC3H7O2H+SC4H9 1.12E+13 0.0 17700.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 705. IC3H7O2+C4H10<=>IC3H7O2H+PC4H9 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 706. IC3H7O2+C4H10<=>IC3H7O2H+SC4H9 1.12E+13 0.0 17700.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 707. PC4H9O2+C3H8<=>PC4H9O2H+NC3H7 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 708. PC4H9O2+C3H8<=>PC4H9O2H+IC3H7 2.00E+12 0.0 17000.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 709. PC4H9O2+C4H10<=>PC4H9O2H+PC4H9 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 710. PC4H9O2+C4H10<=>PC4H9O2H+SC4H9 1.12E+13 0.0 17700.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 711. SC4H9O2+C3H8<=>SC4H9O2H+NC3H7 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 712. SC4H9O2+C3H8<=>SC4H9O2H+IC3H7 2.00E+12 0.0 17000.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 713. SC4H9O2+C4H10<=>SC4H9O2H+PC4H9 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 714. SC4H9O2+C4H10<=>SC4H9O2H+SC4H9 1.12E+13 0.0 17700.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 715. PC4H9<=>C2H5+C2H4 3.50E+12 0.5 29470.0 Reverse Arrhenius coefficients: 1.32E+04 2.5 6130.0 716. SC4H9<=>C3H6+CH3 4.80E+10 1.0 30350.0 Reverse Arrhenius coefficients: 1.76E+04 2.5 6130.0

SUPPLEMENTAL MATERIAL 717. PC4H9<=>C4H8-1+H 2.62E+12 0.3 35700.0 Reverse Arrhenius coefficients: 2.50E+11 0.5 2620.0 718. SC4H9<=>C4H8-2+H 2.84E+11 0.3 35520.0 Reverse Arrhenius coefficients: 2.50E+11 0.5 2620.0 719. SC4H9<=>C4H8-1+H 3.03E+11 0.6 36820.0 Reverse Arrhenius coefficients: 4.24E+11 0.5 1230.0 720. PC4H9+O2<=>C4H8-1+HO2 2.00E-18 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.0 721. SC4H9+O2<=>C4H8-1+HO2 2.00E-18 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.0 722. SC4H9+O2<=>C4H8-2+HO2 2.00E-18 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.0 723. C4H8-1<=>C3H5-A+CH3 5.08E+19 -1.3 76510.0 Reverse Arrhenius coefficients: 1.35E+13 0.0 0.0 724. C4H8-1<=>C2H3+C2H5 2.88E+23 -2.0 101600.0 Reverse Arrhenius coefficients: 9.00E+12 0.0 0.0 725. C4H8-1<=>H+C4H71-3 3.72E+14 -0.1 85200.0 Reverse Arrhenius coefficients: 5.00E+13 0.0 0.0 726. C4H8-1+O2<=>C4H71-3+HO2 2.00E+13 0.0 37190.0 Reverse Arrhenius coefficients: 4.65E+12 0.1 -168.0 727. C4H8-1+H<=>C4H71-1+H2 7.81E+05 2.5 12290.0 Reverse Arrhenius coefficients: 2.21E+05 2.4 6469.0 728. C4H8-1+H<=>C4H71-2+H2 3.90E+05 2.5 5821.0 Reverse Arrhenius coefficients: 2.56E+04 2.5 2125.0 729. C4H8-1+H<=>C4H71-3+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 4.32E+06 2.1 20330.0 730. C4H8-1+H<=>C4H71-4+H2 6.65E+05 2.5 6756.0 Reverse Arrhenius coefficients: 3.04E+04 2.5 11030.0 731. C4H8-1+OH<=>C4H71-1+H2O 2.14E+06 2.0 2778.0 Reverse Arrhenius coefficients: 2.62E+06 1.9 12120.0 732. C4H8-1+OH<=>C4H71-2+H2O 2.22E+06 2.0 1451.0 Reverse Arrhenius coefficients: 6.30E+05 2.0 12910.0 733. C4H8-1+OH<=>C4H71-3+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 1.53E+06 2.4 33360.0 734. C4H8-1+OH<=>C4H71-4+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.04E+09 1.0 21010.0 735. C4H8-1+CH3<=>C4H71-3+CH4 3.69E+00 3.3 4002.0 Reverse Arrhenius coefficients: 1.23E+03 3.0 24610.0 736. C4H8-1+CH3<=>C4H71-4+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 5.40E-01 3.6 11910.0 737. C4H8-1+HO2<=>C4H71-3+H2O2 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.59E+06 2.0 14350.0 738. C4H8-1+HO2<=>C4H71-4+H2O2 2.38E+03 2.5 16490.0 Reverse Arrhenius coefficients: 2.80E+03 2.2 4460.0 739. C4H8-1+CH3O2<=>C4H71-3+CH3O2H 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.30E+06 1.8 11330.0 740. C4H8-1+CH3O2<=>C4H71-4+CH3O2H 2.38E+03 2.5 16490.0 Reverse Arrhenius coefficients: 5.83E+03 2.0 1440.0 741. C4H8-1+CH3O<=>C4H71-3+CH3OH 4.00E+01 2.9 8609.0 Reverse Arrhenius coefficients: 2.47E+02 2.7 27000.0 742. C4H8-1+CH3O<=>C4H71-4+CH3OH 2.17E+11 0.0 6458.0 Reverse Arrhenius coefficients: 4.79E+09 0.0 9002.0 743. C4H8-1+CH3CO3<=>C4H71-3+CH3CO3H 1.00E+11 0.0 8000.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 10000.0 744. C4H8-1+C3H5-A<=>C4H71-3+C3H6 7.90E+10 0.0 12400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 17500.0 745. C4H8-1+C4H6<=>C4H71-3+C4H71-3 2.35E+12 0.0 46720.0 Reverse Arrhenius coefficients: 1.60E+12 0.0 0.0 746. C4H8-1+C2H5O2<=>C4H71-3+C2H5O2H 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.0 747. C4H8-1+NC3H7O2<=>C4H71-3+NC3H7O2H 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.0 748. C4H8-1+IC3H7O2<=>C4H71-3+IC3H7O2H 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.0 749. C4H8-1+PC4H9O2<=>C4H71-3+PC4H9O2H 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.0 750. C4H8-1+SC4H9O2<=>C4H71-3+SC4H9O2H 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.0 751. C4H8-1+CH3O2<=>C4H8O1-2+CH3O 1.00E+12 0.0 14340.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 752. C4H8-2<=>H+C4H71-3 2.34E+14 0.1 87890.0 Reverse Arrhenius coefficients: 5.00E+13 0.0 0.0 753. C4H8-2+O2<=>C4H71-3+HO2 4.00E+13 0.0 39390.0 Reverse Arrhenius coefficients: 1.35E+13 -0.2 -924.0 754. C4H8-2+H<=>C4H71-3+H2 3.46E+05 2.5 2492.0 Reverse Arrhenius coefficients: 6.43E+06 2.0 19660.0 755. C4H8-2+OH<=>C4H71-3+H2O 6.24E+06 2.0 -298.0 Reverse Arrhenius coefficients: 5.02E+08 1.5 32020.0 756. C4H8-2+CH3<=>C4H71-3+CH4 4.42E+00 3.5 5675.0 Reverse Arrhenius coefficients: 2.14E+03 3.0 23320.0 757. C4H8-2+HO2<=>C4H71-3+H2O2 1.93E+04 2.6 13910.0 Reverse Arrhenius coefficients: 9.20E+06 1.8 14770.0 758. C4H8-2+CH3O2<=>C4H71-3+CH3O2H 1.93E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.92E+07 1.6 11750.0 759. C4H8-2+CH3O<=>C4H71-3+CH3OH 1.80E+01 3.0 11990.0 Reverse Arrhenius coefficients: 1.61E+02 2.5 27420.0 760. C4H8-2+C2H5O2<=>C4H71-3+C2H5O2H 3.20E+12 0.0 14900.0 Reverse Arrhenius coefficients: 1.58E+11 0.0 14700.0 761. C4H8-2+NC3H7O2<=>C4H71-3+NC3H7O2H 3.20E+12 0.0 14900.0 Reverse Arrhenius coefficients: 1.58E+11 0.0 14700.0 762. C4H8-2+IC3H7O2<=>C4H71-3+IC3H7O2H 3.20E+12 0.0 14900.0 Reverse Arrhenius coefficients: 1.58E+11 0.0 14700.0 763. C4H8-2+PC4H9O2<=>C4H71-3+PC4H9O2H 3.20E+12 0.0 14900.0 Reverse Arrhenius coefficients: 1.58E+11 0.0 14700.0 764. C4H8-2+SC4H9O2<=>C4H71-3+SC4H9O2H 3.20E+12 0.0 14900.0 Reverse Arrhenius coefficients: 1.58E+11 0.0 14700.0 765. C4H8-1+HO2<=>C4H8O1-2+OH 1.00E+12 0.0 14340.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 766. C4H8-2+HO2<=>C4H8O2-3+OH 5.62E+11 0.0 12310.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 767. C4H8-2+CH3O2<=>C4H8O2-3+CH3O 5.62E+11 0.0 12310.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 768. PC4H8OH<=>C4H8-1+OH 1.08E+16 -0.7 28090.0 Reverse Arrhenius coefficients: 4.75E+12 0.0 -782.0 769. SC4H8OH<=>C4H8-2+OH 3.38E+17 -1.3 29920.0 Reverse Arrhenius coefficients: 4.75E+12 0.0 -782.0 770. C4H8OH-1O2<=>PC4H8OH+O2 6.75E+20 -1.9 35520.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.0 771. C4H8OH-2O2<=>SC4H8OH+O2 7.69E+20 -2.0 35510.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.0 772. C4H8OH-1O2<=>C2H5CHO+CH2O+OH 1.00E+16 0.0 25000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 773. C4H8OH-2O2<=>OH+CH3CHO+CH3CHO 1.00E+16 0.0 25000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 774. C4H71-1<=>C2H2+C2H5 1.07E+15 -0.6 30320.0 Reverse Arrhenius coefficients: 2.00E+11 0.0 7800.0 775. C4H71-2<=>C3H4-A+CH3 9.59E+14 -0.7 31260.0 Reverse Arrhenius coefficients: 2.00E+11 0.0 7800.0 776. C4H71-4<=>C2H4+C2H3 8.77E+12 -0.2 36290.0 Reverse Arrhenius coefficients: 2.00E+11 0.0 7800.0 777. C4H71-4<=>C4H6+H 3.00E+13 0.0 35000.0 778. C4H72-2<=>C3H4-P+CH3 6.33E+10 0.5 30020.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.0 779. C4H71-3<=>C4H6+H 1.20E+14 0.0 49300.0 Reverse Arrhenius coefficients: 4.00E+13 0.0 1300.0 780. C4H71-3+C2H5<=>C4H8-1+C2H4 2.59E+12 0.0 -131.0 Reverse Arrhenius coefficients: 1.15E+13 0.1 49440.0 781. C4H71-3+CH3O<=>C4H8-1+CH2O 2.41E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.48E+12 0.3 66330.0 782. C4H71-3+O<=>C2H3CHO+CH3 6.03E+13 0.0 0.0 Reverse Arrhenius coefficients: 3.38E+15 -0.8 81630.0 783. C4H71-3+HO2<=>C4H7O+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 7.29E+15 -1.1 15530.0 784. C4H71-3+CH3O2<=>C4H7O+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 7.12E+17 -1.7 20290.0 785. C3H5-A+C4H71-3<=>C3H6+C4H6 6.31E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 50000.0 786. C4H71-3+O2<=>C4H6+HO2 1.00E+09 0.0 0.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 17000.0 787. H+C4H71-3<=>C4H6+H2 3.16E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.07E+13 0.0 56810.0 788. C2H5+C4H71-3<=>C4H6+C2H6 3.98E+12 0.0 0.0 Reverse Arrhenius coefficients: 3.21E+12 0.0 49840.0 789. C2H3+C4H71-3<=>C2H4+C4H6 3.98E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.16E+13 0.0 57710.0 790. C4H71-3+C2H5O2<=>C4H7O+C2H5O 3.80E+12 0.0 -1200.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 0.0 791. IC3H7O2+C4H71-3<=>IC3H7O+C4H7O 3.80E+12 0.0 -1200.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 0.0 792. NC3H7O2+C4H71-3<=>NC3H7O+C4H7O 3.80E+12 0.0 -1200.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 0.0 793. C4H7O<=>CH3CHO+C2H3 7.94E+14 0.0 19000.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 20000.0 794. C4H7O<=>C2H3CHO+CH3 7.94E+14 0.0 19000.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 20000.0 795. C4H6<=>C2H3+C2H3 4.03E+19 -1.0 98150.0 Reverse Arrhenius coefficients: 1.26E+13 0.0 0.0 796. C4H6+OH<=>C2H5+CH2CO 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 3.73E+12 0.0 30020.0 797. C4H6+OH<=>CH2O+C3H5-A 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 3.50E+06 0.0 71060.0 798. C4H6+OH<=>C2H3+CH3CHO 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 5.44E+11 0.0 18550.0 799. C4H6+O<=>C2H4+CH2CO 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 6.38E+11 0.0 94340.0 800. C4H6+O<=>CH2O+C3H4-A 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.08E+12 0.0 79050.0 801. C2H3+C2H4<=>C4H6+H 5.00E+11 0.0 7300.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 4700.0 802. C4H8O1-2+OH<=>CH2O+C3H5-A+H2O 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 803. C4H8O1-2+H<=>CH2O+C3H5-A+H2 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 804. C4H8O1-2+O<=>CH2O+C3H5-A+OH 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 805. C4H8O1-2+HO2<=>CH2O+C3H5-A+H2O2 1.00E+13 0.0 15000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 806. C4H8O1-2+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.00E+13 0.0 19000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 807. C4H8O1-2+CH3<=>CH2O+C3H5-A+CH4 2.00E+11 0.0 10000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 808. C4H8O1-3+OH<=>CH2O+C3H5-A+H2O 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 809. C4H8O1-3+H<=>CH2O+C3H5-A+H2 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 810. C4H8O1-3+O<=>CH2O+C3H5-A+OH 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 811. C4H8O1-3+HO2<=>CH2O+C3H5-A+H2O2 1.00E+13 0.0 15000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 812. C4H8O1-3+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.00E+13 0.0 19000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 813. C4H8O1-3+CH3<=>CH2O+C3H5-A+CH4 2.00E+11 0.0 10000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 814. C4H8O1-4+OH<=>CH2O+C3H5-A+H2O 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00

SUPPLEMENTAL MATERIAL this reaction will be treated as irreversible 815. C4H8O1-4+H<=>CH2O+C3H5-A+H2 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 816. C4H8O1-4+O<=>CH2O+C3H5-A+OH 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 817. C4H8O1-4+HO2<=>CH2O+C3H5-A+H2O2 1.00E+13 0.0 15000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 818. C4H8O1-4+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.00E+13 0.0 19000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 819. C4H8O1-4+CH3<=>CH2O+C3H5-A+CH4 2.00E+11 0.0 10000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 820. C4H8O2-3+OH<=>CH2O+C3H5-A+H2O 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 821. C4H8O2-3+H<=>CH2O+C3H5-A+H2 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 822. C4H8O2-3+O<=>CH2O+C3H5-A+OH 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 823. C4H8O2-3+HO2<=>CH2O+C3H5-A+H2O2 1.00E+13 0.0 15000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 824. C4H8O2-3+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.00E+13 0.0 19000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 825. C4H8O2-3+CH3<=>CH2O+C3H5-A+CH4 2.00E+11 0.0 10000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 826. PC4H9O2<=>PC4H9+O2 2.85E+20 -1.6 35930.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.0 827. SC4H9O2<=>SC4H9+O2 4.33E+22 -2.2 38160.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.0 828. SC4H9O2+CH2O<=>SC4H9O2H+HCO 5.60E+12 0.0 13600.0 Reverse Arrhenius coefficients: 8.00E+11 0.0 10000.0 829. SC4H9O2+CH3CHO<=>SC4H9O2H+CH3CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.0 830. SC4H9O2+HO2<=>SC4H9O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.86E+13 -0.8 33620.0 831. IC3H7O2+PC4H9<=>IC3H7O+PC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.28E+13 0.1 27480.0 832. IC3H7O2+SC4H9<=>IC3H7O+SC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.94E+15 -0.4 29190.0 833. NC3H7O2+PC4H9<=>NC3H7O+PC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.06E+15 -0.6 27680.0 834. NC3H7O2+SC4H9<=>NC3H7O+SC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.82E+17 -1.1 29390.0 835. SC4H9O2+SC4H9O2<=>O2+SC4H9O+SC4H9O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 836. SC4H9O2+NC3H7O2<=>SC4H9O+NC3H7O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 837. SC4H9O2+IC3H7O2<=>SC4H9O+IC3H7O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 838. SC4H9O2+C2H5O2<=>SC4H9O+C2H5O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 839. SC4H9O2+CH3O2<=>SC4H9O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 840. SC4H9O2+CH3CO3<=>SC4H9O+CH3CO2+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 841. PC4H9O2+HO2=>PC4H9O+OH+O2 1.40E-14 -1.6 1860.0 842. SC4H9O2+HO2=>SC4H9O+OH+O2 1.40E-14 -1.6 1860.0 843. H2+PC4H9O2<=>H+PC4H9O2H 3.01E+13 0.0 26030.0 Reverse Arrhenius coefficients: 4.80E+13 0.0 7950.0 844. H2+SC4H9O2<=>H+SC4H9O2H 3.01E+13 0.0 26030.0 Reverse Arrhenius coefficients: 4.80E+13 0.0 7950.0 845. C2H6+PC4H9O2<=>C2H5+PC4H9O2H 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 846. C2H6+SC4H9O2<=>C2H5+SC4H9O2H 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.0 847. PC4H9O2+C2H5CHO<=>PC4H9O2H+C2H5CO 2.00E+11 0.0 9500.0 Reverse Arrhenius coefficients: 5.00E+09 0.0 10000.0 848. SC4H9O2+C2H5CHO<=>SC4H9O2H+C2H5CO 2.00E+11 0.0 9500.0 Reverse Arrhenius coefficients: 5.00E+09 0.0 10000.0 849. SC4H9O2+CH3<=>SC4H9O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.18E+13 0.1 26110.0 850. SC4H9O2+C2H5<=>SC4H9O+C2H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.67E+15 -0.5 28520.0 851. SC4H9O2+IC3H7<=>SC4H9O+IC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.85E+15 -0.4 29190.0 852. SC4H9O2+NC3H7<=>SC4H9O+NC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.69E+15 -0.5 27190.0 853. SC4H9O2+PC4H9<=>SC4H9O+PC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.34E+15 -0.6 26870.0 854. SC4H9O2+SC4H9<=>SC4H9O+SC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.05E+17 -1.0 28580.0 855. SC4H9O2+C3H5-A<=>SC4H9O+C3H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.36E+11 0.2 13530.0 856. PC4H9O2+CH2O<=>PC4H9O2H+HCO 5.60E+12 0.0 13600.0 Reverse Arrhenius coefficients: 8.00E+11 0.0 10000.0 857. PC4H9O2+CH3CHO<=>PC4H9O2H+CH3CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.0 858. PC4H9O2+HO2<=>PC4H9O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.36E+13 -0.8 33630.0 859. C3H6+PC4H9O2<=>C3H5-A+PC4H9O2H 3.24E+11 0.0 14900.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 15000.0 860. C3H6+SC4H9O2<=>C3H5-A+SC4H9O2H 3.24E+11 0.0 14900.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 15000.0 861. C2H4+PC4H9O2<=>C2H3+PC4H9O2H 1.13E+13 0.0 30430.0 Reverse Arrhenius coefficients: 3.00E+12 0.0 11500.0 862. C2H4+SC4H9O2<=>C2H3+SC4H9O2H 1.13E+13 0.0 30430.0 Reverse Arrhenius coefficients: 3.00E+12 0.0 11500.0 863. CH3OH+PC4H9O2<=>CH2OH+PC4H9O2H 6.30E+12 0.0 19360.0 Reverse Arrhenius coefficients: 1.00E+09 0.0 10000.0 864. CH3OH+SC4H9O2<=>CH2OH+SC4H9O2H 6.30E+12 0.0 19360.0 Reverse Arrhenius coefficients: 1.00E+09 0.0 10000.0 865. C2H3CHO+PC4H9O2<=>C2H3CO+PC4H9O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.0 866. C2H3CHO+SC4H9O2<=>C2H3CO+SC4H9O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.0 867. CH4+PC4H9O2<=>CH3+PC4H9O2H 1.12E+13 0.0 24640.0 Reverse Arrhenius coefficients: 7.43E+11 0.0 5500.0 868. CH4+SC4H9O2<=>CH3+SC4H9O2H 1.12E+13 0.0 24640.0 Reverse Arrhenius coefficients: 7.43E+11 0.0 5500.0 869. C4H71-3+PC4H9O2<=>C4H7O+PC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.19E+14 -0.8 16100.0 870. C4H71-3+SC4H9O2<=>C4H7O+SC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.25E+14 -0.7 15580.0 871. H2O2+PC4H9O2<=>HO2+PC4H9O2H 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.0 872. H2O2+SC4H9O2<=>HO2+SC4H9O2H 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.0 873. PC4H9O2+PC4H9O2<=>O2+PC4H9O+PC4H9O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 874. PC4H9O2+SC4H9O2<=>PC4H9O+SC4H9O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 875. PC4H9O2+NC3H7O2<=>PC4H9O+NC3H7O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 876. PC4H9O2+IC3H7O2<=>PC4H9O+IC3H7O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 877. PC4H9O2+C2H5O2<=>PC4H9O+C2H5O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 878. PC4H9O2+CH3O2<=>PC4H9O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 879. PC4H9O2+CH3CO3<=>PC4H9O+CH3CO2+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 880. PC4H9O2+CH3<=>PC4H9O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.20E+12 0.0 26630.0 881. PC4H9O2+C2H5<=>PC4H9O+C2H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.81E+14 -0.6 29040.0 882. PC4H9O2+IC3H7<=>PC4H9O+IC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.50E+15 -0.5 29710.0 883. PC4H9O2+NC3H7<=>PC4H9O+NC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.90E+14 -0.6 27710.0 884. PC4H9O2+PC4H9<=>PC4H9O+PC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.24E+15 -0.6 27390.0 885. PC4H9O2+SC4H9<=>PC4H9O+SC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.13E+17 -1.1 29100.0 886. PC4H9O2+C3H5-A<=>PC4H9O+C3H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.30E+11 0.2 14050.0 887. PC4H9+HO2<=>PC4H9O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.63E+15 -0.7 25000.0 888. SC4H9+HO2<=>SC4H9O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.49E+18 -1.2 26710.0 889. CH3O2+PC4H9<=>CH3O+PC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.40E+14 -0.4 29240.0 890. CH3O2+SC4H9<=>CH3O+SC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.33E+16 -0.9 30950.0 891. PC4H9O2H<=>PC4H9O+OH 1.50E+16 0.0 42500.0 Reverse Arrhenius coefficients: 1.18E+08 1.7 -4342.0 892. SC4H9O2H<=>SC4H9O+OH 9.45E+15 0.0 41600.0 Reverse Arrhenius coefficients: 1.00E+15 -0.8 0.0 893. PC4H9O<=>NC3H7+CH2O 1.56E+21 -2.4 15230.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 3457.0 894. SC4H9O<=>CH3+C2H5CHO 4.38E+16 -0.9 15200.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 9043.0 895. SC4H9O<=>C2H5+CH3CHO 5.49E+22 -2.8 12650.0 Reverse Arrhenius coefficients: 3.33E+10 0.0 6397.0 896. PC4H9O2<=>C4H8OOH1-2 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 5.60E+08 0.3 11970.0 897. PC4H9O2<=>C4H8OOH1-3 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 3.23E+09 -0.1 7871.0 898. PC4H9O2<=>C4H8OOH1-4 4.69E+09 0.0 22350.0 Reverse Arrhenius coefficients: 1.27E+10 -0.5 6900.0 899. SC4H9O2<=>C4H8OOH2-1 3.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 7.44E+11 -0.5 13940.0 900. SC4H9O2<=>C4H8OOH2-3 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 3.99E+10 -0.2 13930.0 901. SC4H9O2<=>C4H8OOH2-4 3.75E+10 0.0 24400.0 Reverse Arrhenius coefficients: 9.30E+10 -0.5 8944.0 902. PC4H9O2<=>C4H8-1+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 1.60E+30 -6.3 20350.0 903. SC4H9O2<=>C4H8-1+HO2 5.07E+42 -9.4 41490.0 Reverse Arrhenius coefficients: 2.60E+33 -7.3 16610.0 904. SC4H9O2<=>C4H8-2+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 1.62E+29 -5.8 18300.0 905. C4H8OOH1-2<=>C4H8-1+HO2 8.83E+16 -1.5 16260.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11000.0 906. C4H8OOH2-1<=>C4H8-1+HO2 4.85E+20 -2.6 21180.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11750.0 907. C4H8OOH2-3<=>C4H8-2+HO2 6.22E+19 -2.5 21020.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11750.0 908. C4H8OOH1-2<=>C4H8O1-2+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 909. C4H8OOH1-3<=>C4H8O1-3+OH 7.50E+10 0.0 15250.0

SUPPLEMENTAL MATERIAL REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 910. C4H8OOH1-4<=>C4H8O1-4+OH 9.38E+09 0.0 6000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 911. C4H8OOH2-1<=>C4H8O1-2+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 912. C4H8OOH2-3<=>C4H8O2-3+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 913. C4H8OOH2-4<=>C4H8O1-3+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 914. C4H8OOH1-1<=>NC3H7CHO+OH 9.00E+14 0.0 1500.0 Reverse Arrhenius coefficients: 1.73E+08 1.9 33470.0 915. C4H8OOH2-2<=>C2H5COCH3+OH 9.00E+14 0.0 1500.0 Reverse Arrhenius coefficients: 1.99E+10 1.3 35510.0 916. C4H8OOH1-3<=>OH+CH2O+C3H6 6.64E+13 -0.2 29900.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 917. C4H8OOH2-4<=>OH+CH3CHO+C2H4 1.94E+18 -1.6 26790.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 918. C4H8OOH1-2O2<=>C4H8OOH1-2+O2 2.59E+24 -2.7 39860.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.0 919. C4H8OOH1-3O2<=>C4H8OOH1-3+O2 5.60E+22 -2.2 37960.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.0 920. C4H8OOH1-4O2<=>C4H8OOH1-4+O2 2.57E+20 -1.6 35680.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.0 921. C4H8OOH2-1O2<=>C4H8OOH2-1+O2 2.82E+20 -1.6 35700.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.0 922. C4H8OOH2-3O2<=>C4H8OOH2-3+O2 4.52E+22 -2.2 37880.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.0 923. C4H8OOH2-4O2<=>C4H8OOH2-4+O2 2.82E+20 -1.6 35700.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.0 924. C4H8OOH1-2O2<=>NC4KET12+OH 2.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 3.20E+04 1.3 48930.0 925. C4H8OOH1-3O2<=>NC4KET13+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 1.44E+03 1.5 44740.0 926. C4H8OOH1-4O2<=>NC4KET14+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 1.73E+02 1.5 42690.0 927. C4H8OOH2-1O2<=>NC4KET21+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 3.63E+02 1.8 50050.0 928. C4H8OOH2-3O2<=>NC4KET23+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 1.74E+03 1.7 49130.0 929. C4H8OOH2-4O2<=>NC4KET24+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 1.02E+02 1.8 43920.0 930. NC4KET12<=>C2H5CHO+HCO+OH 1.05E+16 0.0 41600.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 931. NC4KET13<=>CH3CHO+CH2CHO+OH 1.05E+16 0.0 41600.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 932. NC4KET14<=>CH2CH2CHO+CH2O+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 933. NC4KET21<=>CH2O+C2H5CO+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 934. NC4KET23<=>CH3CHO+CH3CO+OH 1.05E+16 0.0 41600.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 935. NC4KET24<=>CH2O+CH3COCH2+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 936. C2H5COCH3+OH<=>CH2CH2COCH3+H2O 7.55E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.53E+09 1.0 21020.0 937. C2H5COCH3+OH<=>CH3CHCOCH3+H2O 8.45E+11 0.0 -228.0 Reverse Arrhenius coefficients: 1.59E+13 -0.2 28620.0 938. C2H5COCH3+OH<=>C2H5COCH2+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 6.63E+13 -0.7 27670.0 939. C2H5COCH3+HO2<=>CH2CH2COCH3+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.86E+04 2.2 4459.0 940. C2H5COCH3+HO2<=>CH3CHCOCH3+H2O2 2.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 2.23E+13 -0.6 6080.0 941. C2H5COCH3+HO2<=>C2H5COCH2+H2O2 2.38E+04 2.5 14690.0 Reverse Arrhenius coefficients: 1.84E+07 1.5 9702.0 942. C2H5COCH3+O<=>CH2CH2COCH3+OH 2.25E+13 0.0 7700.0 Reverse Arrhenius coefficients: 4.62E+11 0.0 9882.0 943. C2H5COCH3+O<=>CH3CHCOCH3+OH 3.07E+13 0.0 3400.0 Reverse Arrhenius coefficients: 5.85E+13 -0.2 15000.0 944. C2H5COCH3+O<=>C2H5COCH2+OH 5.00E+12 0.0 5962.0 Reverse Arrhenius coefficients: 6.59E+13 -0.7 15190.0 945. C2H5COCH3+H<=>CH2CH2COCH3+H2 9.16E+06 2.0 7700.0 Reverse Arrhenius coefficients: 4.28E+05 2.0 11980.0 946. C2H5COCH3+H<=>CH3CHCOCH3+H2 4.46E+06 2.0 3200.0 Reverse Arrhenius coefficients: 1.93E+07 1.8 16890.0 947. C2H5COCH3+H<=>C2H5COCH2+H2 9.30E+12 0.0 6357.0 Reverse Arrhenius coefficients: 2.79E+14 -0.7 17680.0 948. C2H5COCH3+O2<=>CH2CH2COCH3+HO2 2.05E+13 0.0 51310.0 Reverse Arrhenius coefficients: 1.74E+10 0.3 -1895.0 949. C2H5COCH3+O2<=>CH3CHCOCH3+HO2 1.55E+13 0.0 41970.0 Reverse Arrhenius coefficients: 1.22E+12 0.1 -1822.0 950. C2H5COCH3+O2<=>C2H5COCH2+HO2 2.05E+13 0.0 49150.0 Reverse Arrhenius coefficients: 1.12E+13 -0.4 2988.0 951. C2H5COCH3+CH3<=>CH2CH2COCH3+CH4 3.19E+01 3.2 7172.0 Reverse Arrhenius coefficients: 3.89E+01 3.2 11930.0 952. C2H5COCH3+CH3<=>CH3CHCOCH3+CH4 1.74E+00 3.5 3680.0 Reverse Arrhenius coefficients: 1.97E+02 3.2 17850.0 953. C2H5COCH3+CH3<=>C2H5COCH2+CH4 1.62E+11 0.0 9630.0 Reverse Arrhenius coefficients: 1.27E+14 -0.7 21430.0 954. C2H5COCH3+CH3O<=>CH2CH2COCH3+CH3OH 2.17E+11 0.0 6460.0 Reverse Arrhenius coefficients: 4.89E+09 0.0 9007.0 955. C2H5COCH3+CH3O<=>CH3CHCOCH3+CH3OH 1.45E+11 0.0 2771.0 Reverse Arrhenius coefficients: 3.03E+11 -0.2 14730.0 956. C2H5COCH3+CH3O<=>C2H5COCH2+CH3OH 2.17E+11 0.0 4660.0 Reverse Arrhenius coefficients: 3.14E+12 -0.7 14250.0 957. C2H5COCH3+CH3O2<=>CH2CH2COCH3+CH3O2H 3.01E+12 0.0 19380.0 Reverse Arrhenius coefficients: 7.52E+12 -0.5 4329.0 958. C2H5COCH3+CH3O2<=>CH3CHCOCH3+CH3O2H 2.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 4.64E+14 -0.7 9612.0 959. C2H5COCH3+CH3O2<=>C2H5COCH2+CH3O2H 3.01E+12 0.0 17580.0 Reverse Arrhenius coefficients: 4.84E+15 -1.2 9572.0 960. C2H5COCH3+C2H3<=>CH2CH2COCH3+C2H4 5.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 3.44E+08 0.8 14030.0 961. C2H5COCH3+C2H3<=>CH3CHCOCH3+C2H4 3.00E+11 0.0 3400.0 Reverse Arrhenius coefficients: 1.91E+10 0.6 16440.0 962. C2H5COCH3+C2H3<=>C2H5COCH2+C2H4 6.15E+10 0.0 4278.0 Reverse Arrhenius coefficients: 2.72E+10 0.1 14950.0 963. C2H5COCH3+C2H5<=>CH2CH2COCH3+C2H6 5.00E+10 0.0 13400.0 Reverse Arrhenius coefficients: 9.55E+12 -0.6 13990.0 964. C2H5COCH3+C2H5<=>CH3CHCOCH3+C2H6 3.00E+10 0.0 8600.0 Reverse Arrhenius coefficients: 5.32E+14 -0.8 18600.0 965. C2H5COCH3+C2H5<=>C2H5COCH2+C2H6 5.00E+10 0.0 11600.0 Reverse Arrhenius coefficients: 6.14E+15 -1.3 19230.0 966. CH3CHOOCOCH3<=>CH3CHCOCH3+O2 1.37E+17 -1.7 28460.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 0.0 967. CH3CHOOCOCH3<=>CH2CHOOHCOCH3 8.90E+12 0.0 29700.0 Reverse Arrhenius coefficients: 4.70E+13 -0.5 16960.0 968. CH2CHOOHCOCH3<=>C2H3COCH3+HO2 2.03E+19 -2.4 14130.0 Reverse Arrhenius coefficients: 7.00E+10 0.0 7800.0 969. CH2CH2CHO<=>C2H4+HCO 3.13E+13 -0.5 24590.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 8300.0 970. CH2CH2COCH3<=>C2H4+CH3CO 1.00E+14 0.0 18000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 0.0 971. C2H5COCH2<=>CH2CO+C2H5 1.00E+14 0.0 35000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 0.0 972. CH3CHCOCH3<=>C2H3COCH3+H 3.42E+16 -0.8 41770.0 Reverse Arrhenius coefficients: 5.00E+12 0.0 1200.0 973. CH3CHCOCH3<=>CH3CHCO+CH3 1.41E+15 -0.4 38340.0 Reverse Arrhenius coefficients: 1.23E+11 0.0 7800.0 974. NC3H7CHO+O2<=>NC3H7CO+HO2 1.20E+05 2.5 37560.0 Reverse Arrhenius coefficients: 1.00E+07 0.5 4000.0 975. NC3H7CHO+OH<=>NC3H7CO+H2O 2.00E+06 1.8 -1300.0 Reverse Arrhenius coefficients: 1.55E+04 2.3 28050.0 976. NC3H7CHO+H<=>NC3H7CO+H2 4.14E+09 1.1 2320.0 Reverse Arrhenius coefficients: 3.03E+06 1.7 16780.0 977. NC3H7CHO+O<=>NC3H7CO+OH 5.94E+12 0.0 1868.0 Reverse Arrhenius coefficients: 2.26E+09 0.6 14920.0 978. NC3H7CHO+HO2<=>NC3H7CO+H2O2 4.09E+04 2.5 10200.0 Reverse Arrhenius coefficients: 1.73E+04 2.4 8662.0 979. NC3H7CHO+CH3<=>NC3H7CO+CH4 2.89E-03 4.6 3210.0 Reverse Arrhenius coefficients: 1.93E-03 4.8 19210.0 980. NC3H7CHO+CH3O<=>NC3H7CO+CH3OH 1.00E+12 0.0 3300.0 Reverse Arrhenius coefficients: 1.57E+10 0.4 17990.0 981. NC3H7CHO+CH3O2<=>NC3H7CO+CH3O2H 4.09E+04 2.5 10200.0 Reverse Arrhenius coefficients: 3.37E+05 2.0 7067.0 982. NC3H7CHO+OH<=>C3H6CHO-1+H2O 5.28E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.23E+07 1.5 18820.0 983. NC3H7CHO+OH<=>C3H6CHO-2+H2O 4.68E+07 1.6 -35.0 Reverse Arrhenius coefficients: 9.10E+03 2.4 19740.0 984. NC3H7CHO+OH<=>C3H6CHO-3+H2O 5.52E+02 3.1 -1176.0 Reverse Arrhenius coefficients: 1.43E+02 3.4 25510.0 985. NC3H7CHO+HO2<=>C3H6CHO-1+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 3.02E+03 2.5 2834.0 986. NC3H7CHO+HO2<=>C3H6CHO-2+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.02E+02 2.8 2791.0 987. NC3H7CHO+HO2<=>C3H6CHO-3+H2O2 3.44E+12 0.1 17880.0 Reverse Arrhenius coefficients: 4.86E+13 -0.3 13660.0 988. NC3H7CHO+CH3O2<=>C3H6CHO-1+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.88E+04 2.0 1239.0 989. NC3H7CHO+CH3O2<=>C3H6CHO-2+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.99E+03 2.4 1196.0 990. NC3H7CHO+CH3O2<=>C3H6CHO-3+CH3O2H 3.44E+12 0.1 17880.0 Reverse Arrhenius coefficients: 9.45E+14 -0.7 12070.0 991. NC3H7CO<=>NC3H7+CO 1.00E+11 0.0 9600.0 Reverse Arrhenius coefficients: 2.19E+03 1.8 -1100.0 992. C3H6CHO-1<=>C2H4+CH2CHO 7.40E+11 0.0 21970.0 Reverse Arrhenius coefficients: 2.11E+11 0.0 7350.0 993. C3H6CHO-3<=>C2H5CHCO+H 8.43E+15 -0.6 40400.0 Reverse Arrhenius coefficients: 5.00E+12 0.0 1200.0 994. C3H6CHO-3<=>C2H3CHO+CH3 3.17E+14 -0.4 29900.0 Reverse Arrhenius coefficients: 1.23E+11 0.0 7800.0 995. C3H6CHO-2<=>SC3H5CHO+H 4.95E+12 -0.1 31300.0 Reverse Arrhenius coefficients: 5.00E+12 0.0 2900.0 996. C3H6CHO-2<=>C3H6+HCO 8.25E+12 -0.2 21900.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 6000.0 997. C2H5CHCO+OH<=>NC3H7+CO2 3.73E+12 0.0 -1010.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 998. C2H5CHCO+H<=>NC3H7+CO 4.40E+12 0.0 1459.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible 999. C2H5CHCO+O<=>C3H6+CO2 3.20E+12 0.0 -437.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1000. SC3H5CHO+OH<=>SC3H5CO+H2O 2.69E+10 0.8 -340.0 Reverse Arrhenius coefficients: 4.83E+10 0.8 37090.01001. SC3H5CO<=>C3H5-S+CO 8.60E+15 0.0 23000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 6000.01002. SC3H5CHO+HO2<=>SC3H5CO+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.07E+13 -0.3 17890.01003. SC3H5CHO+CH3<=>SC3H5CO+CH4 3.98E+12 0.0 8700.0 Reverse Arrhenius coefficients: 4.31E+13 0.0 31460.01004. SC3H5CHO+O<=>SC3H5CO+OH 7.18E+12 0.0 1389.0 Reverse Arrhenius coefficients: 1.31E+12 0.0 21570.01005. SC3H5CHO+O2<=>SC3H5CO+HO2 4.00E+13 0.0 37600.0 Reverse Arrhenius coefficients: 3.01E+11 0.3 2394.01006. SC3H5CHO+H<=>SC3H5CO+H2 2.60E+12 0.0 2600.0 Reverse Arrhenius coefficients: 1.08E+12 0.0 24880.01007. C2H3COCH3+OH=>CH3CHO+CH3CO 1.00E+11 0.0 0.01008. C2H3COCH3+OH=>CH2CO+C2H3+H2O 5.10E+11 0.0 1192.0

SUPPLEMENTAL MATERIAL1009. C2H3COCH3+HO2=>CH2CHO+CH3CO+OH 6.03E+09 0.0 7949.01010. C2H3COCH3+HO2=>CH2CO+C2H3+H2O2 8.50E+12 0.0 20460.01011. C2H3COCH3+CH3O2=>CH2CHO+CH3CO+CH3O 3.97E+11 0.0 17050.01012. C2H3COCH3+CH3O2=>CH2CO+C2H3+CH3O2H 3.01E+12 0.0 17580.01013. IC4H10(+M)<=>CH3+IC3H7(+M) 4.83E+16 0.0 79900.0 Low pressure limit: 0.24100E+20 0.00000E+00 0.52576E+05 TROE centering: 0.25000E+00 0.75000E+03 0.10000E-09 0.10000E+111014. IC4H10<=>TC4H9+H 2.51E+98 -23.8 145300.0 Reverse Arrhenius coefficients: 1.13E+93 -22.9 48390.01015. IC4H10<=>IC4H9+H 9.85E+95 -23.1 147600.0 Reverse Arrhenius coefficients: 2.25E+92 -22.8 46360.01016. IC4H10+H<=>TC4H9+H2 6.02E+05 2.4 2583.0 Reverse Arrhenius coefficients: 1.08E+00 3.6 9213.01017. IC4H10+H<=>IC4H9+H2 1.81E+06 2.5 6756.0 Reverse Arrhenius coefficients: 1.65E+02 3.2 9096.01018. IC4H10+CH3<=>TC4H9+CH4 9.04E-01 3.5 4598.0 Reverse Arrhenius coefficients: 1.48E-03 4.2 12770.01019. IC4H10+CH3<=>IC4H9+CH4 1.36E+00 3.6 7154.0 Reverse Arrhenius coefficients: 1.13E-01 3.8 11030.01020. IC4H10+OH<=>TC4H9+H2O 2.92E+04 2.5 -1659.0 Reverse Arrhenius coefficients: 5.58E-01 3.6 19860.01021. IC4H10+OH<=>IC4H9+H2O 6.65E+04 2.7 -168.9 Reverse Arrhenius coefficients: 6.44E+01 3.2 17060.01022. IC4H10+C2H5<=>IC4H9+C2H6 1.51E+12 0.0 10400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.01023. IC4H10+C2H5<=>TC4H9+C2H6 1.00E+11 0.0 7900.0 Reverse Arrhenius coefficients: 3.00E+11 0.0 21000.01024. IC4H10+HO2<=>IC4H9+H2O2 6.12E+01 3.6 17160.0 Reverse Arrhenius coefficients: 3.23E+00 3.5 3500.01025. IC4H10+HO2<=>TC4H9+H2O2 4.33E+02 3.0 12090.0 Reverse Arrhenius coefficients: 4.51E-01 3.5 2723.01026. IC4H10+O<=>TC4H9+OH 1.97E+05 2.4 1150.0 Reverse Arrhenius coefficients: 1.84E-01 3.6 6368.01027. IC4H10+O<=>IC4H9+OH 4.05E+07 2.0 5136.0 Reverse Arrhenius coefficients: 1.92E+03 2.6 6064.01028. IC4H10+CH3O<=>IC4H9+CH3OH 4.80E+11 0.0 7000.0 Reverse Arrhenius coefficients: 9.40E+08 0.4 9567.01029. IC4H10+CH3O<=>TC4H9+CH3OH 1.90E+10 0.0 2800.0 Reverse Arrhenius coefficients: 7.34E+05 1.0 9657.01030. IC4H10+O2<=>IC4H9+HO2 9.00E+13 0.0 52290.0 Reverse Arrhenius coefficients: 4.31E+10 0.3 -59.01031. IC4H10+O2<=>TC4H9+HO2 1.00E+13 0.0 48200.0 Reverse Arrhenius coefficients: 9.44E+07 0.9 141.01032. IC4H10+CH3O2<=>IC4H9+CH3O2H 2.08E+00 4.0 18280.0 Reverse Arrhenius coefficients: 2.13E+00 3.5 3026.01033. IC4H10+C2H5O2<=>IC4H9+C2H5O2H 2.55E+13 0.0 20460.0 Reverse Arrhenius coefficients: 2.62E+13 -0.5 5208.01034. IC4H10+CH3CO3<=>IC4H9+CH3CO3H 2.55E+13 0.0 20460.0 Reverse Arrhenius coefficients: 2.15E+12 0.0 9570.01035. IC4H10+NC3H7O2<=>IC4H9+NC3H7O2H 2.55E+13 0.0 20460.0 Reverse Arrhenius coefficients: 2.68E+13 -0.5 5000.01036. IC4H10+IC3H7O2<=>IC4H9+IC3H7O2H 2.55E+13 0.0 20460.0 Reverse Arrhenius coefficients: 2.69E+13 -0.5 5000.01037. IC4H10+IC4H9O2<=>IC4H9+IC4H9O2H 2.55E+13 0.0 20460.0 Reverse Arrhenius coefficients: 2.68E+13 -0.5 5010.01038. IC4H10+TC4H9O2<=>IC4H9+TC4H9O2H 2.55E+13 0.0 20460.0 Reverse Arrhenius coefficients: 2.68E+13 -0.5 5010.01039. IC4H10+O2CHO<=>IC4H9+HO2CHO 2.52E+13 0.0 20440.0 Reverse Arrhenius coefficients: 1.01E+00 3.1 2375.01040. IC4H10+O2CHO<=>TC4H9+HO2CHO 2.80E+12 0.0 16010.0 Reverse Arrhenius coefficients: 1.89E+01 2.7 4678.01041. IC4H10+SC4H9O2<=>IC4H9+SC4H9O2H 2.25E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01042. IC4H10+SC4H9O2<=>TC4H9+SC4H9O2H 2.80E+12 0.0 16000.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01043. IC4H10+PC4H9O2<=>IC4H9+PC4H9O2H 2.25E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01044. IC4H10+PC4H9O2<=>TC4H9+PC4H9O2H 2.80E+12 0.0 16000.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01045. IC4H10+CH3O2<=>TC4H9+CH3O2H 1.37E+02 3.1 13190.0 Reverse Arrhenius coefficients: 2.77E+00 3.2 2228.01046. IC4H10+C2H5O2<=>TC4H9+C2H5O2H 2.80E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10000.01047. IC4H10+CH3CO3<=>TC4H9+CH3CO3H 2.80E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10000.01048. IC4H10+NC3H7O2<=>TC4H9+NC3H7O2H 2.80E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10000.01049. IC4H10+IC3H7O2<=>TC4H9+IC3H7O2H 2.80E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10000.01050. IC4H10+IC4H9O2<=>TC4H9+IC4H9O2H 2.80E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10000.01051. IC4H10+TC4H9O2<=>TC4H9+TC4H9O2H 2.80E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10000.01052. IC4H10+IC4H9<=>TC4H9+IC4H10 2.50E+10 0.0 7900.0 Reverse Arrhenius coefficients: 2.25E+11 0.0 12300.01053. IC4H9+HO2<=>IC4H9O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.71E+15 -0.7 26540.01054. TC4H9+HO2<=>TC4H9O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.08E+18 -1.3 28650.01055. CH3O2+IC4H9<=>CH3O+IC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.32E+14 -0.4 30780.01056. CH3O2+TC4H9<=>CH3O+TC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.55E+17 -1.0 32890.01057. IC4H9<=>IC4H8+H 3.37E+13 0.1 33660.0 Reverse Arrhenius coefficients: 6.25E+11 0.5 2620.01058. IC4H9<=>C3H6+CH3 9.50E+11 0.8 30700.0 Reverse Arrhenius coefficients: 1.89E+03 2.7 6850.01059. TC4H9<=>H+IC4H8 1.13E+12 0.7 36560.0 Reverse Arrhenius coefficients: 1.06E+12 0.5 1230.01060. TC4H9+O2<=>IC4H8+HO2 8.37E-01 3.6 11960.0 Reverse Arrhenius coefficients: 1.65E+00 3.3 25500.01061. IC4H9+O2<=>IC4H8+HO2 1.07E+00 3.7 9322.0 Reverse Arrhenius coefficients: 4.16E-02 4.0 27150.01062. NC3H7O2+IC4H9<=>NC3H7O+IC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.54E+14 -0.5 29220.01063. NC3H7O2+TC4H9<=>NC3H7O+TC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.00E+17 -1.2 31330.01064. NC3H7O2+IC4H7<=>NC3H7O+IC4H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.18E+11 0.2 13500.01065. SC4H9O2+IC4H9<=>SC4H9O+IC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.01E+15 -0.5 28410.01066. SC4H9O2+TC4H9<=>SC4H9O+TC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.11E+18 -1.1 30520.01067. PC4H9O2+IC4H9<=>PC4H9O+IC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.31E+14 -0.6 28930.01068. PC4H9O2+TC4H9<=>PC4H9O+TC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.84E+17 -1.2 31040.01069. PC4H9O2+IC4H7<=>PC4H9O+IC4H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.89E+11 0.2 13210.01070. SC4H9O2+IC4H7<=>SC4H9O+IC4H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.28E+11 0.2 12690.01071. IC4H9O2<=>IC4H9+O2 6.64E+19 -1.6 36080.0 Reverse Arrhenius coefficients: 2.26E+12 0.0 0.01072. TC4H9O2<=>TC4H9+O2 3.33E+24 -2.5 37870.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.01073. IC4H9O2+C4H10<=>IC4H9O2H+SC4H9 1.12E+13 0.0 17700.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01074. TC4H9O2+C4H10<=>TC4H9O2H+SC4H9 1.12E+13 0.0 17700.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01075. IC4H9O2+C4H10<=>IC4H9O2H+PC4H9 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01076. TC4H9O2+C4H10<=>TC4H9O2H+PC4H9 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01077. IC3H7O2+IC4H9<=>IC3H7O+IC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.81E+12 0.2 29020.01078. IC3H7O2+TC4H9<=>IC3H7O+TC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.08E+16 -0.5 31130.01079. IC3H7O2+IC4H7<=>IC3H7O+IC4H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.04E+09 0.9 13300.01080. IC4H9O2+C3H6<=>IC4H9O2H+C3H5-A 3.24E+11 0.0 14900.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 15000.01081. TC4H9O2+C3H6<=>TC4H9O2H+C3H5-A 3.24E+11 0.0 14900.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 15000.01082. IC4H9O2+IC4H8<=>IC4H9O2H+IC4H7 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.01083. TC4H9O2+IC4H8<=>TC4H9O2H+IC4H7 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.01084. PC4H9O2+IC4H8<=>PC4H9O2H+IC4H7 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.01085. SC4H9O2+IC4H8<=>SC4H9O2H+IC4H7 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.01086. IC3H7O2+IC4H8<=>IC3H7O2H+IC4H7 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.01087. NC3H7O2+IC4H8<=>NC3H7O2H+IC4H7 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.01088. IC4H9O2+C4H8-1<=>IC4H9O2H+C4H71-3 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.01089. TC4H9O2+C4H8-1<=>TC4H9O2H+C4H71-3 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.01090. IC4H9O2+C4H8-2<=>IC4H9O2H+C4H71-3 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.01091. TC4H9O2+C4H8-2<=>TC4H9O2H+C4H71-3 1.40E+12 0.0 14900.0 Reverse Arrhenius coefficients: 3.16E+11 0.0 13000.01092. CC4H8O+OH<=>CH2O+C3H5-A+H2O 5.00E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1093. CC4H8O+H<=>CH2O+C3H5-A+H2 3.51E+07 2.0 5000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1094. CC4H8O+O<=>CH2O+C3H5-A+OH 1.12E+14 0.0 5200.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1095. CC4H8O+HO2<=>CH2O+C3H5-A+H2O2 1.00E+13 0.0 15000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1096. CC4H8O+CH3O2<=>CH2O+C3H5-A+CH3O2H 1.00E+13 0.0 19000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1097. CC4H8O+CH3<=>CH2O+C3H5-A+CH4 2.00E+11 0.0 10000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1098. C2H4+TC4H9O2<=>C2H3+TC4H9O2H 7.00E+11 0.0 17110.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10000.01099. TC4H9O2+CH4<=>TC4H9O2H+CH3 1.13E+13 0.0 20460.0 Reverse Arrhenius coefficients: 7.50E+08 0.0 1280.01100. H2+TC4H9O2<=>H+TC4H9O2H 3.01E+13 0.0 26030.0 Reverse Arrhenius coefficients: 4.80E+13 0.0 7950.01101. TC4H9O2+C2H6<=>TC4H9O2H+C2H5 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01102. TC4H9O2+C3H8<=>TC4H9O2H+IC3H7 2.00E+12 0.0 17000.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01103. TC4H9O2+C3H8<=>TC4H9O2H+NC3H7 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01104. TC4H9O2+CH3OH<=>TC4H9O2H+CH2OH 6.30E+12 0.0 19360.0 Reverse Arrhenius coefficients: 1.00E+09 0.0 10000.01105. TC4H9O2+C2H5OH<=>TC4H9O2H+PC2H4OH 6.30E+12 0.0 19360.0 Reverse Arrhenius coefficients: 3.06E+12 0.0 22100.01106. TC4H9O2+C2H5OH<=>TC4H9O2H+SC2H4OH 4.20E+12 0.0 15000.0 Reverse Arrhenius coefficients: 2.04E+12 0.0 17740.01107. IC4H9O2+CH3CHO<=>IC4H9O2H+CH3CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.01108. TC4H9O2+CH3CHO<=>TC4H9O2H+CH3CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.01109. IC4H9O2+C2H3CHO<=>IC4H9O2H+C2H3CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.01110. TC4H9O2+C2H3CHO<=>TC4H9O2H+C2H3CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.01111. IC4H9O2+C2H5CHO<=>IC4H9O2H+C2H5CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.01112. TC4H9O2+C2H5CHO<=>TC4H9O2H+C2H5CO 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.01113. IC4H9O2+HO2<=>IC4H9O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.84E+13 -0.8 33620.0

SUPPLEMENTAL MATERIAL1114. TC4H9O2+HO2<=>TC4H9O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.85E+13 -0.8 33620.01115. IC4H9O2+H2O2<=>IC4H9O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01116. TC4H9O2+H2O2<=>TC4H9O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01117. IC4H9O2+CH2O<=>IC4H9O2H+HCO 1.30E+11 0.0 9000.0 Reverse Arrhenius coefficients: 2.50E+10 0.0 10100.01118. TC4H9O2+CH2O<=>TC4H9O2H+HCO 1.30E+11 0.0 9000.0 Reverse Arrhenius coefficients: 2.50E+10 0.0 10100.01119. IC4H9O2+CH3O2<=>IC4H9O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1120. TC4H9O2+CH3O2<=>TC4H9O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1121. IC4H9O2+C2H5O2<=>IC4H9O+C2H5O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1122. TC4H9O2+C2H5O2<=>TC4H9O+C2H5O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1123. IC4H9O2+CH3CO3<=>IC4H9O+CH3CO2+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1124. TC4H9O2+CH3CO3<=>TC4H9O+CH3CO2+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1125. IC4H9O2+IC4H9O2<=>O2+IC4H9O+IC4H9O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1126. IC4H9O2+TC4H9O2<=>IC4H9O+TC4H9O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1127. TC4H9O2+TC4H9O2<=>O2+TC4H9O+TC4H9O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1128. IC4H9O2+PC4H9O2<=>IC4H9O+PC4H9O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1129. TC4H9O2+PC4H9O2<=>TC4H9O+PC4H9O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1130. IC4H9O2+SC4H9O2<=>IC4H9O+SC4H9O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1131. TC4H9O2+SC4H9O2<=>TC4H9O+SC4H9O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1132. IC4H9O2+NC3H7O2<=>IC4H9O+NC3H7O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1133. TC4H9O2+NC3H7O2<=>TC4H9O+NC3H7O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1134. IC4H9O2+IC3H7O2<=>IC4H9O+IC3H7O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1135. TC4H9O2+IC3H7O2<=>TC4H9O+IC3H7O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1136. IC4H9O2+HO2<=>IC4H9O+OH+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1137. TC4H9O2+HO2<=>TC4H9O+OH+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1138. IC4H9O2+CH3<=>IC4H9O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.72E+12 0.0 28020.01139. IC4H9O2+C2H5<=>IC4H9O+C2H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.13E+14 -0.6 30430.01140. IC4H9O2+IC3H7<=>IC4H9O+IC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.39E+15 -0.4 31100.01141. IC4H9O2+NC3H7<=>IC4H9O+NC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.21E+14 -0.6 29100.01142. IC4H9O2+PC4H9<=>IC4H9O+PC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.14E+15 -0.6 28780.01143. IC4H9O2+SC4H9<=>IC4H9O+SC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.97E+17 -1.1 30490.01144. IC4H9O2+IC4H9<=>IC4H9O+IC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.90E+14 -0.5 30320.01145. IC4H9O2+TC4H9<=>IC4H9O+TC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.39E+17 -1.2 32430.01146. IC4H9O2+C3H5-A<=>IC4H9O+C3H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.12E+11 0.2 15440.01147. IC4H9O2+C4H71-3<=>IC4H9O+C4H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.10E+14 -0.7 17490.01148. IC4H9O2+IC4H7<=>IC4H9O+IC4H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.51E+11 0.2 14600.01149. TC4H9O2+CH3<=>TC4H9O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.82E+11 0.2 28340.01150. TC4H9O2+C2H5<=>TC4H9O+C2H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.11E+14 -0.4 30750.01151. TC4H9O2+IC3H7<=>TC4H9O+IC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.90E+14 -0.2 31420.01152. TC4H9O2+NC3H7<=>TC4H9O+NC3H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.12E+14 -0.3 29420.01153. TC4H9O2+PC4H9<=>TC4H9O+PC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.56E+14 -0.4 29100.01154. TC4H9O2+SC4H9<=>TC4H9O+SC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.69E+16 -0.9 30810.01155. TC4H9O2+IC4H9<=>TC4H9O+IC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.70E+13 -0.3 30640.01156. TC4H9O2+TC4H9<=>TC4H9O+TC4H9O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.37E+16 -1.0 32750.01157. TC4H9O2+C3H5-A<=>TC4H9O+C3H5O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.90E+10 0.4 15760.01158. TC4H9O2+C4H71-3<=>TC4H9O+C4H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.50E+13 -0.5 17810.01159. TC4H9O2+IC4H7<=>TC4H9O+IC4H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.17E+10 0.4 14920.01160. IC4H9O2+C2H4<=>IC4H9O2H+C2H3 2.00E+11 0.0 6000.0 Reverse Arrhenius coefficients: 2.00E+10 0.0 8000.01161. IC4H9O2+CH4<=>IC4H9O2H+CH3 1.13E+13 0.0 20460.0 Reverse Arrhenius coefficients: 7.50E+08 0.0 1280.01162. H2+IC4H9O2<=>H+IC4H9O2H 3.01E+13 0.0 26030.0 Reverse Arrhenius coefficients: 4.80E+13 0.0 7950.01163. IC4H9O2+C2H6<=>IC4H9O2H+C2H5 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01164. IC4H9O2+C3H8<=>IC4H9O2H+IC3H7 2.00E+12 0.0 17000.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01165. IC4H9O2+C3H8<=>IC4H9O2H+NC3H7 1.70E+13 0.0 20460.0 Reverse Arrhenius coefficients: 5.00E+11 0.0 6500.01166. IC4H9O2+CH3OH<=>IC4H9O2H+CH2OH 6.30E+12 0.0 19360.0 Reverse Arrhenius coefficients: 1.00E+09 0.0 10000.01167. IC4H9O2+C2H5OH<=>IC4H9O2H+PC2H4OH 6.30E+12 0.0 19360.0 Reverse Arrhenius coefficients: 3.06E+12 0.0 22100.01168. IC4H9O2+C2H5OH<=>IC4H9O2H+SC2H4OH 4.20E+12 0.0 15000.0 Reverse Arrhenius coefficients: 2.04E+12 0.0 17740.01169. IC4H9O2H<=>IC4H9O+OH 1.50E+16 0.0 42500.0 Reverse Arrhenius coefficients: 1.23E+08 1.7 -2942.01170. TC4H9O2H<=>TC4H9O+OH 5.95E+15 0.0 42540.0 Reverse Arrhenius coefficients: 6.68E+06 1.9 -2582.01171. IC4H9O+HO2<=>IC3H7CHO+H2O2 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.38E+13 -0.2 72130.01172. IC4H9O+OH<=>IC3H7CHO+H2O 1.81E+13 0.0 0.0 Reverse Arrhenius coefficients: 4.21E+13 0.1 103600.01173. IC4H9O+CH3<=>IC3H7CHO+CH4 2.40E+13 0.0 0.0 Reverse Arrhenius coefficients: 3.37E+14 0.1 88920.01174. IC4H9O+O<=>IC3H7CHO+OH 6.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.42E+12 0.1 86350.01175. IC4H9O+H<=>IC3H7CHO+H2 1.99E+13 0.0 0.0 Reverse Arrhenius coefficients: 1.07E+13 0.1 88440.01176. IC4H9O<=>IC3H7CHO+H 4.00E+14 0.0 21500.0 Reverse Arrhenius coefficients: 1.14E+10 1.1 2500.01177. IC4H9O<=>CH2O+IC3H7 2.00E+14 0.0 17500.0 Reverse Arrhenius coefficients: 1.88E+02 2.8 4591.01178. TC4H9O<=>CH3COCH3+CH3 9.56E+22 -2.5 18650.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 11900.01179. IC4H9O+O2<=>IC3H7CHO+HO2 1.93E+11 0.0 1660.0 Reverse Arrhenius coefficients: 7.03E+08 0.6 33200.01180. TC4H9O+O2<=>IC4H8O+HO2 8.10E+11 0.0 4700.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 32000.01181. IC4H8O<=>IC3H7CHO 4.18E+13 0.0 52720.0 Reverse Arrhenius coefficients: 1.39E+10 0.6 72050.01182. IC4H8O+OH<=>IC3H6CHO+H2O 1.25E+12 0.0 0.0 Reverse Arrhenius coefficients: 9.61E+05 1.1 36560.01183. IC4H8O+H<=>IC3H6CHO+H2 1.25E+12 0.0 0.0 Reverse Arrhenius coefficients: 9.06E+04 1.2 21670.01184. IC4H8O+HO2<=>IC3H6CHO+H2O2 2.50E+12 0.0 15000.0 Reverse Arrhenius coefficients: 1.05E+08 0.5 20660.01185. IC4H8O+CH3O2<=>IC3H6CHO+CH3O2H 2.50E+12 0.0 19000.0 Reverse Arrhenius coefficients: 2.04E+09 0.0 23070.01186. IC4H8O+CH3<=>IC3H6CHO+CH4 5.00E+10 0.0 10000.0 Reverse Arrhenius coefficients: 3.31E+06 0.7 33210.01187. IC4H8O+O<=>IC3H6CHO+OH 1.25E+12 0.0 0.0 Reverse Arrhenius coefficients: 4.70E+04 1.2 20250.01188. IC3H7CHO<=>TC3H6CHO+H 2.30E+18 -0.9 92000.0 Reverse Arrhenius coefficients: 2.00E+14 0.0 0.01189. IC3H7CHO<=>IC3H7+HCO 1.13E+17 0.0 79760.0 Reverse Arrhenius coefficients: 1.81E+13 0.0 0.01190. IC3H7CHO+HO2<=>IC3H7CO+H2O2 3.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 7.99E+11 -0.1 10360.01191. IC3H7CHO+HO2<=>TC3H6CHO+H2O2 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 3.37E+12 -0.4 11050.01192. IC3H7CHO+CH3<=>IC3H7CO+CH4 3.98E+12 0.0 8700.0 Reverse Arrhenius coefficients: 2.32E+13 -0.1 25630.01193. IC3H7CHO+O<=>IC3H7CO+OH 7.18E+12 0.0 1389.0 Reverse Arrhenius coefficients: 7.05E+11 -0.1 15740.01194. IC3H7CHO+O2<=>IC3H7CO+HO2 4.00E+13 0.0 37600.0 Reverse Arrhenius coefficients: 1.62E+11 0.3 -3432.01195. IC3H7CHO+OH<=>IC3H7CO+H2O 2.69E+10 0.8 -340.0 Reverse Arrhenius coefficients: 1.16E+10 0.8 31200.01196. IC3H7CHO+OH<=>TC3H6CHO+H2O 1.68E+12 0.0 -781.0 Reverse Arrhenius coefficients: 1.19E+13 -0.1 29810.01197. IC3H7CHO+H<=>IC3H7CO+H2 2.60E+12 0.0 2600.0 Reverse Arrhenius coefficients: 1.20E+09 0.6 17040.01198. IC3H7CHO+OH<=>IC3H6CHO+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 6.39E+05 2.0 19130.01199. IC3H7CHO+HO2<=>IC3H6CHO+H2O2 2.74E+04 2.5 15500.0 Reverse Arrhenius coefficients: 3.33E+04 2.2 3468.01200. IC3H7CHO+CH3O2<=>IC3H6CHO+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.38E+05 2.0 3742.01201. IC3H7CO<=>IC3H7+CO 2.87E+20 -2.2 14970.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.01202. IC3H6CHO<=>C3H6+HCO 1.03E+15 -0.6 23170.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.01203. IC3H6CHO<=>C2H3CHO+CH3 2.42E+13 -0.3 22470.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.01204. IC4H8OH<=>IC4H8+OH 9.23E+14 -0.6 28050.0 Reverse Arrhenius coefficients: 9.93E+11 0.0 -960.01205. IO2C4H8OH<=>IC4H8OH+O2 1.92E+21 -2.3 35790.0 Reverse Arrhenius coefficients: 1.20E+11 0.0 -1100.01206. IO2C4H8OH<=>CH3COCH3+CH2O+OH 1.25E+10 0.0 18900.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1207. IC4H9O2<=>IC4H8O2H-I 7.50E+10 0.0 24400.0 Reverse Arrhenius coefficients: 1.82E+11 -0.5 8946.01208. TC4H9O2<=>TC4H8O2H-I 9.00E+11 0.0 34500.0 Reverse Arrhenius coefficients: 2.03E+09 0.1 16940.01209. IC4H9O2<=>IC4H8O2H-T 1.00E+11 0.0 29200.0 Reverse Arrhenius coefficients: 5.08E+06 0.8 15880.01210. IC4H9O2<=>IC4H8+HO2 2.27E+35 -7.2 39490.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 3.00E+26 -5.3 21240.01211. TC4H9O2<=>IC4H8+HO2 7.61E+42 -9.4 41490.0 Reverse Arrhenius coefficients: 6.34E+31 -7.2 17160.01212. IC4H8OOH-IO2<=>IC4H8O2H-I+O2 1.44E+20 -1.6 35690.0 Reverse Arrhenius coefficients: 2.26E+12 0.0 0.01213. TC4H8OOH-IO2<=>TC4H8O2H-I+O2 5.17E+22 -2.3 37800.0 Reverse Arrhenius coefficients: 2.26E+12 0.0 0.01214. IC4H8OOH-TO2<=>IC4H8O2H-T+O2 2.27E+27 -3.2 39640.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.01215. IC4H8OOH-IO2<=>IC4KETII+OH 5.00E+10 0.0 21400.0 Reverse Arrhenius coefficients: 1.99E+03 1.5 44420.01216. IC4H8OOH-TO2<=>IC4KETIT+OH 4.00E+11 0.0 31500.0 Reverse Arrhenius coefficients: 1.91E+05 1.2 53830.01217. TC4H8OOH-IO2<=>TIC4H7Q2-I 7.50E+10 0.0 24400.0 Reverse Arrhenius coefficients: 6.36E+08 0.1 11720.01218. TIC4H7Q2-I<=>IC4H7OOH+HO2 1.94E+20 -2.2 22590.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.01219. IC4H8OOH-IO2<=>IIC4H7Q2-I 3.75E+10 0.0 24400.0 Reverse Arrhenius coefficients: 8.99E+08 -0.1 11900.01220. IC4H8OOH-IO2<=>IIC4H7Q2-T 1.00E+11 0.0 29200.0 Reverse Arrhenius coefficients: 9.45E+07 0.4 21200.01221. IC4H8OOH-TO2<=>TIC4H7Q2-I 6.00E+11 0.0 34500.0 Reverse Arrhenius coefficients: 5.09E+09 0.1 21820.01222. IIC4H7Q2-I<=>AC3H5OOH+CH2O2H 7.63E+19 -1.7 38310.0 Reverse Arrhenius coefficients: 8.50E+10 0.0 10600.01223. IIC4H7Q2-T<=>IC4H7OOH+HO2 4.08E+17 -1.6 18390.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.01224. CH2O2H<=>CH2O+OH 9.00E+14 0.0 1500.0 Reverse Arrhenius coefficients: 1.87E+11 1.1 36840.01225. IC4KETII<=>CH2O+C2H5CO+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1226. IC4KETIT<=>CH3COCH3+HCO+OH 9.50E+15 0.0 42540.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1227. TC4H8O2H-I<=>IC4H8+HO2 1.07E+20 -2.1 19390.0 Reverse Arrhenius coefficients: 3.97E+11 0.0 12620.01228. IC4H8O2H-T<=>IC4H8+HO2 1.53E+16 -1.1 17560.0 Reverse Arrhenius coefficients: 3.97E+11 0.0 12620.01229. IC4H8O2H-I<=>CC4H8O+OH 2.00E+11 0.0 19500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1230. IC4H8O2H-T<=>IC4H8O+OH 1.38E+12 0.0 14800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1231. TC4H8O2H-I<=>IC4H8O+OH 4.00E+12 0.0 17000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1232. IC4H8O2H-I<=>OH+CH2O+C3H6 8.45E+15 -0.7 29170.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1233. IC4H8<=>C3H5-T+CH3 1.92E+66 -14.2 128100.0 Reverse Arrhenius coefficients: 1.56E+56 -12.3 26100.01234. IC4H8<=>IC4H7+H 3.07E+55 -11.5 114300.0 Reverse Arrhenius coefficients: 1.43E+55 -11.7 26400.01235. IC4H8+H<=>C3H6+CH3 5.68E+33 -5.7 20000.0 Reverse Arrhenius coefficients: 6.09E+26 -4.2 27200.01236. IC4H8+H<=>IC4H7+H2 3.40E+05 2.5 2492.0 Reverse Arrhenius coefficients: 6.32E+04 2.5 18160.01237. IC4H8+O<=>CH2CO+CH3+CH3 3.33E+07 1.8 76.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1238. IC4H8+O=>IC3H6CO+H+H 1.66E+07 1.8 76.01239. IC4H8+O<=>IC4H7+OH 1.21E+11 0.7 7633.0 Reverse Arrhenius coefficients: 1.16E+10 0.7 21890.01240. IC4H8+CH3<=>IC4H7+CH4 4.42E+00 3.5 5675.0 Reverse Arrhenius coefficients: 7.50E+02 3.1 22890.01241. IC4H8+HO2<=>IC4H7+H2O2 1.93E+04 2.6 13910.0 Reverse Arrhenius coefficients: 2.07E+06 1.9 13580.01242. IC4H8+O2CHO<=>IC4H7+HO2CHO 1.93E+04 2.6 13910.0 Reverse Arrhenius coefficients: 6.51E-07 4.9 -3468.01243. IC4H8+O2<=>IC4H7+HO2 6.00E+12 0.0 39900.0 Reverse Arrhenius coefficients: 5.85E+12 -0.3 883.01244. IC4H8+C3H5-A<=>IC4H7+C3H6 7.94E+11 0.0 20500.0 Reverse Arrhenius coefficients: 4.40E+20 -1.3 60610.01245. IC4H8+C3H5-S<=>IC4H7+C3H6 7.94E+11 0.0 20500.0 Reverse Arrhenius coefficients: 5.59E+20 -1.3 82170.01246. IC4H8+C3H5-T<=>IC4H7+C3H6 7.94E+11 0.0 20500.0 Reverse Arrhenius coefficients: 5.59E+20 -1.3 80170.01247. IC4H8+OH<=>IC4H7+H2O 5.20E+06 2.0 -298.0 Reverse Arrhenius coefficients: 1.02E+07 1.9 30270.01248. IC4H8+O<=>IC3H7+HCO 1.58E+07 1.8 -1216.0 Reverse Arrhenius coefficients: 4.54E+00 3.1 21690.01249. IC4H8+CH3O2<=>IC4H7+CH3O2H 1.93E+04 2.6 13910.0 Reverse Arrhenius coefficients: 4.03E+07 1.5 11990.01250. IC4H8+HO2<=>IC4H8O+OH 1.29E+12 0.0 13340.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 7500.01251. IC4H7+O2<=>IC3H5CHO+OH 2.47E+13 -0.5 23020.0 Reverse Arrhenius coefficients: 3.37E+13 -0.6 73010.01252. IC4H7+O2<=>CH3COCH2+CH2O 7.14E+15 -1.2 21050.0 Reverse Arrhenius coefficients: 1.70E+12 -0.4 88250.01253. IC4H7+O2<=>C3H4-A+CH2O+OH 7.29E+29 -5.7 21450.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1254. IC4H7+O<=>IC3H5CHO+H 6.03E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.84E+16 -0.5 66730.01255. IC4H7<=>C3H4-A+CH3 1.23E+47 -9.7 74260.0 Reverse Arrhenius coefficients: 1.65E+38 -7.8 22540.01256. CH3O2+IC4H7<=>CH3O+IC4H7O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.14E+11 0.3 15060.01257. IC4H7+HO2<=>IC4H7O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.42E+12 0.1 10820.01258. IC4H7O<=>C3H5-T+CH2O 2.92E+21 -2.4 35590.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12600.01259. IC4H7O<=>IC4H6OH 1.39E+11 0.0 15600.0 Reverse Arrhenius coefficients: 4.23E+11 -0.2 31670.01260. IC4H7O<=>IC3H5CHO+H 5.00E+13 0.0 29100.0 Reverse Arrhenius coefficients: 6.67E+13 -0.1 18410.01261. IC4H6OH+H2<=>IC4H7OH+H 2.16E+04 2.4 18990.0 Reverse Arrhenius coefficients: 5.61E+02 3.0 1399.01262. IC4H6OH+HO2<=>IC4H7OH+O2 5.57E+13 -0.3 862.0 Reverse Arrhenius coefficients: 6.00E+13 0.0 39900.01263. IC4H6OH+CH2O<=>IC4H7OH+HCO 6.30E+08 1.9 18190.0 Reverse Arrhenius coefficients: 2.10E+07 2.2 17730.01264. IC4H6OH+IC4H8<=>IC4H7OH+IC4H7 4.70E+02 3.3 19840.0 Reverse Arrhenius coefficients: 2.81E-01 3.9 6521.01265. IC4H7OH<=>IC4H6OH+H 4.90E+16 -0.4 89850.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.01266. IC4H7OH+HO2<=>IC4H6OH+H2O2 7.64E+03 2.7 13930.0 Reverse Arrhenius coefficients: 7.83E+05 2.0 13580.01267. IC4H6OH<=>C3H4-A+CH2OH 7.24E+19 -1.9 57050.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.01268. IC4H7O+O2<=>IC3H5CHO+HO2 3.00E+10 0.0 1649.0 Reverse Arrhenius coefficients: 6.31E+10 -0.1 38980.01269. IC4H7O+HO2<=>IC3H5CHO+H2O2 3.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 8.93E+14 -0.8 78500.01270. IC4H7O+CH3<=>IC3H5CHO+CH4 2.40E+13 0.0 0.0 Reverse Arrhenius coefficients: 7.26E+16 -0.5 95290.01271. IC4H7O+O<=>IC3H5CHO+OH 6.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 3.05E+14 -0.5 92720.01272. IC4H7O+OH<=>IC3H5CHO+H2O 1.81E+13 0.0 0.0 Reverse Arrhenius coefficients: 9.08E+15 -0.5 110000.01273. IC4H7O+H<=>IC3H5CHO+H2 1.99E+13 0.0 0.0 Reverse Arrhenius coefficients: 2.30E+15 -0.5 94810.01274. IC3H5CHO+OH<=>IC3H5CO+H2O 2.69E+10 0.8 -340.0 Reverse Arrhenius coefficients: 4.40E+10 0.8 36080.01275. IC3H5CHO+HO2<=>IC3H5CO+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 9.71E+12 -0.3 16880.01276. IC3H5CHO+CH3<=>IC3H5CO+CH4 3.98E+12 0.0 8700.0 Reverse Arrhenius coefficients: 3.93E+13 0.0 30450.01277. IC3H5CHO+O<=>IC3H5CO+OH 7.18E+12 0.0 1389.0 Reverse Arrhenius coefficients: 1.19E+12 0.0 20560.01278. IC3H5CHO+O2<=>IC3H5CO+HO2 2.00E+13 0.0 40700.0 Reverse Arrhenius coefficients: 1.82E+11 0.3 5337.01279. IC3H5CHO+H<=>IC3H5CO+H2 2.60E+12 0.0 2600.0 Reverse Arrhenius coefficients: 9.82E+11 0.0 23870.01280. IC3H5CO<=>C3H5-T+CO 1.28E+20 -1.9 34460.0 Reverse Arrhenius coefficients: 1.51E+11 0.0 4809.01281. TC3H6CHO+HO2<=>TC3H6OCHO+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.02E+17 -1.2 21010.01282. TC3H6OCHO<=>CH3COCH3+HCO 3.98E+13 0.0 9700.0 Reverse Arrhenius coefficients: 2.17E+08 0.8 14240.01283. TC3H6CHO<=>IC3H5CHO+H 1.32E+14 0.0 39340.0 Reverse Arrhenius coefficients: 1.30E+13 0.0 1200.01284. TC3H6CHO<=>IC3H6CO+H 4.09E+14 -0.1 42410.0 Reverse Arrhenius coefficients: 1.30E+13 0.0 4800.01285. TC3H6CHO+H2<=>IC3H7CHO+H 2.16E+05 2.4 18990.0 Reverse Arrhenius coefficients: 1.32E+05 2.5 3550.01286. IC4H7OOH<=>IC4H7O+OH 6.40E+15 0.0 45550.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 0.01287. IC4H7OH<=>IC4H7O+H 5.97E+16 -0.6 105900.0 Reverse Arrhenius coefficients: 4.00E+13 0.0 0.01288. IC4H8OH<=>IC4H7OH+H 1.71E+12 0.3 38850.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 1200.01289. IC4H7O+H2<=>IC4H7OH+H 9.05E+06 2.0 17830.0 Reverse Arrhenius coefficients: 7.16E+05 2.4 16310.01290. IC4H7OH<=>IC4H7+OH 7.31E+16 -0.4 79700.0 Reverse Arrhenius coefficients: 3.00E+13 0.0 0.01291. IC4H7O+CH2O<=>IC4H7OH+HCO 1.15E+11 0.0 1280.0 Reverse Arrhenius coefficients: 3.02E+11 0.0 18160.01292. TC3H6CHO+CH2O<=>IC3H7CHO+HCO 2.52E+08 1.9 18190.0 Reverse Arrhenius coefficients: 1.23E+07 2.0 17420.01293. TC3H6CHO+IC4H8<=>IC3H7CHO+IC4H7 4.70E+02 3.3 19840.0 Reverse Arrhenius coefficients: 6.61E+00 3.4 8672.01294. IC3H6CO+OH<=>IC3H7+CO2 1.73E+12 0.0 -1010.0 Reverse Arrhenius coefficients: 2.58E+14 -0.4 55480.01295. TC3H6OHCHO<=>TC3H6CHO+OH 9.99E+20 -1.5 87480.0 Reverse Arrhenius coefficients: 5.00E+13 0.0 0.01296. TC3H6OHCHO<=>TC3H6OH+HCO 5.16E+23 -1.9 76850.0 Reverse Arrhenius coefficients: 1.81E+13 0.0 0.01297. TC3H6OH<=>CH3COCH3+H 5.00E+13 0.0 21860.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 0.01298. TC3H6OH<=>IC3H5OH+H 6.20E+15 -0.7 40340.0 Reverse Arrhenius coefficients: 1.30E+13 0.0 1560.01299. IC3H5OH<=>C3H5-T+OH 7.37E+19 -0.9 109100.0 Reverse Arrhenius coefficients: 5.00E+13 0.0 0.01300. TC3H6O2CHO<=>TC3H6CHO+O2 2.46E+25 -4.1 27080.0 Reverse Arrhenius coefficients: 1.99E+17 -2.1 0.01301. TC3H6O2CHO<=>IC3H5O2HCHO 6.00E+11 0.0 29880.0 Reverse Arrhenius coefficients: 3.01E+12 -0.5 17110.01302. TC3H6O2CHO<=>TC3H6O2HCO 1.00E+11 0.0 25750.0 Reverse Arrhenius coefficients: 1.63E+12 -0.5 25100.01303. IC3H5O2HCHO<=>IC3H5CHO+HO2 8.94E+20 -2.4 15030.0 Reverse Arrhenius coefficients: 2.23E+11 0.0 10600.01304. TC3H6O2HCO<=>CH3COCH3+CO+OH 4.24E+18 -1.4 4800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1305. TC3H6OH+O2<=>CH3COCH3+HO2 2.23E+13 0.0 0.0 Reverse Arrhenius coefficients: 6.53E+17 -1.2 25610.01306. IC3H6CO+OH<=>TC3H6OH+CO 2.00E+12 0.0 -1010.0 Reverse Arrhenius coefficients: 1.01E+09 0.9 31540.01307. TC3H6CHO+O2<=>IC3H5CHO+HO2 2.72E-19 0.0 7240.0 Reverse Arrhenius coefficients: 1.39E+11 -0.2 17310.01308. TC3H6CHO+O2<=>CH3COCH3+CO+OH 3.62E-20 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1309. TC3H6CHO+HO2<=>IC3H7CHO+O2 3.68E+12 0.0 1310.0 Reverse Arrhenius coefficients: 1.24E+14 -0.2 43350.01310. TC3H6CHO+CH3<=>IC3H5CHO+CH4 3.01E+12 -0.3 -131.0 Reverse Arrhenius coefficients: 2.21E+15 -0.8 67900.01311. TC4H8CHO<=>IC3H5CHO+CH3 1.00E+13 0.0 26290.0 Reverse Arrhenius coefficients: 2.23E+11 0.0 10600.01312. TC4H8CHO<=>IC4H8+HCO 8.52E+12 0.0 20090.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 1.00E+11 0.0 6000.01313. O2C4H8CHO<=>TC4H8CHO+O2 1.52E+19 -1.4 34510.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.01314. O2C4H8CHO<=>O2HC4H8CO 2.16E+11 0.0 15360.0 Reverse Arrhenius coefficients: 1.17E+13 -0.7 14880.01315. O2HC4H8CO<=>IC4H8O2H-T+CO 3.30E+22 -2.7 11760.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4809.01316. IC4H7O+IC4H8<=>IC4H7OH+IC4H7 2.70E+11 0.0 4000.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 9000.01317. IC4H6OH+HO2<=>CH2CCH2OH+CH2O+OH 1.45E+13 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1318. IC4H8+CH2CCH2OH<=>IC4H7+C3H5OH 7.94E+11 0.0 20500.0 Reverse Arrhenius coefficients: 2.75E+11 -0.1 28470.01319. C3H5OH+HO2<=>CH2CCH2OH+H2O2 1.76E+09 0.3 22590.0 Reverse Arrhenius coefficients: 3.01E+09 0.0 2583.01320. C3H5OH+OH<=>CH2CCH2OH+H2O 5.06E+12 0.0 5960.0 Reverse Arrhenius coefficients: 1.46E+12 0.1 17410.01321. C3H5OH+H<=>CH2CCH2OH+H2 3.90E+05 2.5 5821.0 Reverse Arrhenius coefficients: 2.59E+04 2.5 2121.01322. C3H5OH+O2<=>CH2CCH2OH+HO2 4.00E+13 0.0 60690.0 Reverse Arrhenius coefficients: 4.83E+10 0.4 -492.01323. C3H5OH+CH3<=>CH2CCH2OH+CH4 2.40E+11 0.0 8030.0 Reverse Arrhenius coefficients: 4.17E+11 0.1 4810.01324. IC4H7OH<=>CH2CCH2OH+CH3 1.25E+20 -1.0 98570.0 Reverse Arrhenius coefficients: 3.00E+13 0.0 0.01325. C3H5OH<=>CH2CCH2OH+H 2.84E+19 -1.1 111100.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.01326. CH2CCH2OH+O2<=>CH2OH+CO+CH2O 4.34E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1327. CH2CCH2OH<=>C2H2+CH2OH 2.16E+40 -8.3 45110.0 Reverse Arrhenius coefficients: 1.61E+40 -8.6 20330.01328. CH2CCH2OH<=>C3H4-A+OH 6.70E+16 -1.1 42580.0 Reverse Arrhenius coefficients: 8.50E+12 0.0 2000.01329. IC5H12<=>IC3H7+C2H5 5.85E+25 -2.6 87960.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.01330. IC5H12<=>SC4H9+CH3 2.69E+24 -2.3 88980.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.01331. IC5H12<=>IC4H9+CH3 1.46E+22 -1.8 89350.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.01332. IC5H12<=>AC5H11+H 6.76E+16 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.01333. IC5H12<=>BC5H11+H 5.92E+18 -0.9 96900.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.01334. IC5H12<=>CC5H11+H 9.88E+17 -0.7 98700.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.01335. IC5H12<=>DC5H11+H 6.76E+16 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.01336. IC5H12+H<=>AC5H11+H2 1.21E+06 2.5 6756.0 Reverse Arrhenius coefficients: 2.58E+02 3.2 9091.01337. IC5H12+H<=>BC5H11+H2 6.02E+05 2.4 2583.0 Reverse Arrhenius coefficients: 1.47E+00 3.6 9246.01338. IC5H12+H<=>CC5H11+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.90E+01 3.4 9327.01339. IC5H12+H<=>DC5H11+H2 9.40E+04 2.8 6280.0 Reverse Arrhenius coefficients: 2.01E+01 3.4 8615.01340. IC5H12+O<=>AC5H11+OH 2.70E+07 2.0 5136.0 Reverse Arrhenius coefficients: 2.99E+03 2.6 6059.01341. IC5H12+O<=>BC5H11+OH 3.97E+05 2.4 1150.0 Reverse Arrhenius coefficients: 5.02E-01 3.6 6401.01342. IC5H12+O<=>CC5H11+OH 5.95E+05 2.4 2846.0 Reverse Arrhenius coefficients: 4.51E+00 3.4 6290.01343. IC5H12+O<=>DC5H11+OH 1.05E+06 2.4 4766.0 Reverse Arrhenius coefficients: 1.16E+02 3.0 5689.01344. IC5H12+OH<=>AC5H11+H2O 1.05E+10 1.0 1590.0 Reverse Arrhenius coefficients: 2.38E+07 1.5 18820.01345. IC5H12+OH<=>BC5H11+H2O 5.73E+10 0.5 63.0 Reverse Arrhenius coefficients: 1.48E+06 1.6 21620.01346. IC5H12+OH<=>CC5H11+H2O 4.68E+07 1.6 -35.0 Reverse Arrhenius coefficients: 7.25E+03 2.5 19710.01347. IC5H12+OH<=>DC5H11+H2O 5.24E+09 1.0 1590.0 Reverse Arrhenius coefficients: 1.18E+07 1.5 18820.01348. IC5H12+CH3<=>AC5H11+CH4 9.07E-01 3.6 7154.0 Reverse Arrhenius coefficients: 1.76E-01 3.8 11030.01349. IC5H12+CH3<=>BC5H11+CH4 6.01E-10 6.4 893.0 Reverse Arrhenius coefficients: 1.34E-12 7.1 9096.01350. IC5H12+CH3<=>CC5H11+CH4 8.40E+04 2.1 7574.0 Reverse Arrhenius coefficients: 1.12E+03 2.7 13970.01351. IC5H12+CH3<=>DC5H11+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 8.80E-02 3.8 11030.01352. IC5H12+HO2<=>AC5H11+H2O2 4.08E+01 3.6 17160.0 Reverse Arrhenius coefficients: 5.04E+00 3.5 3495.01353. IC5H12+HO2<=>BC5H11+H2O2 6.50E+02 3.0 12090.0 Reverse Arrhenius coefficients: 9.17E-01 3.5 2756.01354. IC5H12+HO2<=>CC5H11+H2O2 6.32E+01 3.4 13720.0 Reverse Arrhenius coefficients: 5.34E-01 3.6 2574.01355. IC5H12+HO2<=>DC5H11+H2O2 2.04E+01 3.6 17160.0 Reverse Arrhenius coefficients: 2.52E+00 3.5 3495.01356. IC5H12+CH3O2<=>AC5H11+CH3O2H 4.08E+01 3.6 17160.0 Reverse Arrhenius coefficients: 9.80E+01 3.1 1900.01357. IC5H12+CH3O2<=>BC5H11+CH3O2H 6.50E+02 3.0 12090.0 Reverse Arrhenius coefficients: 1.78E+01 3.0 1161.01358. IC5H12+CH3O2<=>CC5H11+CH3O2H 6.32E+01 3.4 13720.0 Reverse Arrhenius coefficients: 1.04E+01 3.2 979.01359. IC5H12+CH3O2<=>DC5H11+CH3O2H 2.04E+01 3.6 17160.0 Reverse Arrhenius coefficients: 4.90E+01 3.1 1900.01360. IC5H12+CH3O<=>AC5H11+CH3OH 3.20E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.01361. IC5H12+CH3O<=>BC5H11+CH3OH 1.90E+10 0.0 2800.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 5200.01362. IC5H12+CH3O<=>CC5H11+CH3OH 1.10E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.91E+09 0.0 7200.01363. IC5H12+CH3O<=>DC5H11+CH3OH 1.58E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.01364. IC5H12+O2<=>AC5H11+HO2 4.20E+13 0.0 52800.0 Reverse Arrhenius coefficients: 4.70E+10 0.3 451.01365. IC5H12+O2<=>BC5H11+HO2 7.00E+12 0.0 48000.0 Reverse Arrhenius coefficients: 8.94E+07 0.8 -21.01366. IC5H12+O2<=>CC5H11+HO2 1.40E+13 0.0 50160.0 Reverse Arrhenius coefficients: 1.07E+09 0.6 322.01367. IC5H12+O2<=>DC5H11+HO2 2.10E+13 0.0 52800.0 Reverse Arrhenius coefficients: 2.35E+10 0.3 451.01368. IC5H12+C2H5<=>AC5H11+C2H6 1.00E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.01369. IC5H12+C2H5<=>BC5H11+C2H6 1.00E+11 0.0 7900.0 Reverse Arrhenius coefficients: 3.00E+11 0.0 21000.01370. IC5H12+C2H5<=>CC5H11+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.01371. IC5H12+C2H5<=>DC5H11+C2H6 5.00E+10 0.0 13400.0 Reverse Arrhenius coefficients: 3.24E+11 0.0 12300.01372. IC5H12+C2H3<=>AC5H11+C2H4 1.00E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.60E+12 0.0 25400.01373. IC5H12+C2H3<=>BC5H11+C2H4 2.00E+11 0.0 14300.0 Reverse Arrhenius coefficients: 2.50E+12 0.0 23000.01374. IC5H12+C2H3<=>CC5H11+C2H4 3.98E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.01375. IC5H12+C2H3<=>DC5H11+C2H4 5.00E+11 0.0 18000.0 Reverse Arrhenius coefficients: 2.51E+12 0.0 25400.01376. IC5H12+AC5H11<=>BC5H11+IC5H12 2.50E+10 0.0 7900.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.01377. IC5H12+AC5H11<=>CC5H11+IC5H12 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.01378. IC5H12+AC5H11<=>DC5H11+IC5H12 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.01379. IC5H12+BC5H11<=>CC5H11+IC5H12 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 2.50E+10 0.0 7900.01380. IC5H12+BC5H11<=>DC5H11+IC5H12 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 2.50E+10 0.0 7900.01381. IC5H12+CC5H11<=>DC5H11+IC5H12 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 10400.01382. IC5H12+O2CHO<=>AC5H11+HO2CHO 5.40E+04 2.5 16690.0 Reverse Arrhenius coefficients: 3.83E+05 1.9 3976.01383. IC5H12+O2CHO<=>BC5H11+HO2CHO 1.50E+04 2.5 12260.0 Reverse Arrhenius coefficients: 1.22E+03 2.5 3873.01384. IC5H12+O2CHO<=>CC5H11+HO2CHO 4.90E+04 2.5 14860.0 Reverse Arrhenius coefficients: 2.38E+04 2.3 4669.01385. IC5H12+O2CHO<=>DC5H11+HO2CHO 2.70E+04 2.5 16690.0 Reverse Arrhenius coefficients: 1.92E+05 1.9 3976.01386. AC5H11<=>C3H6+C2H5 2.91E+13 0.4 29710.0 Reverse Arrhenius coefficients: 1.42E+03 2.7 6850.01387. AC5H11<=>C4H8-1+CH3 4.84E+11 0.8 30800.0 Reverse Arrhenius coefficients: 1.89E+03 2.7 6850.01388. AC5H11<=>AC5H10+H 1.89E+13 0.2 34220.0 Reverse Arrhenius coefficients: 6.25E+11 0.5 2620.01389. AC5H11<=>DC5H11 3.00E+11 0.0 21100.0 Reverse Arrhenius coefficients: 3.00E+11 0.0 21100.01390. BC5H11<=>IC4H8+CH3 5.27E+10 1.2 30220.0 Reverse Arrhenius coefficients: 4.40E+04 2.5 6130.01391. BC5H11<=>AC5H10+H 3.66E+11 0.7 37150.0 Reverse Arrhenius coefficients: 1.06E+12 0.5 1230.01392. BC5H11<=>BC5H10+H 6.17E+11 0.5 35580.0 Reverse Arrhenius coefficients: 6.25E+11 0.5 2620.01393. CC5H11<=>C4H8-2+CH3 5.28E+10 0.9 30620.0 Reverse Arrhenius coefficients: 1.89E+03 2.7 6850.01394. CC5H11<=>BC5H10+H 1.48E+12 0.3 33780.0 Reverse Arrhenius coefficients: 2.50E+11 0.5 2620.01395. CC5H11<=>CC5H10+H 6.26E+11 0.6 38150.0 Reverse Arrhenius coefficients: 6.25E+11 0.5 2620.01396. DC5H11<=>C2H4+IC3H7 1.24E+14 0.1 28960.0 Reverse Arrhenius coefficients: 8.80E+03 2.5 6130.01397. DC5H11<=>CC5H10+H 3.66E+12 0.2 35630.0 Reverse Arrhenius coefficients: 2.50E+11 0.5 2620.01398. AC5H11+O2<=>AC5H10+HO2 2.00E-18 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01399. BC5H11+O2<=>AC5H10+HO2 2.00E-18 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01400. BC5H11+O2<=>BC5H10+HO2 2.00E-18 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01401. CC5H11+O2<=>BC5H10+HO2 2.00E-18 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01402. CC5H11+O2<=>CC5H10+HO2 2.00E-18 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01403. DC5H11+O2<=>CC5H10+HO2 2.00E-18 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01404. AC5H11+HO2<=>AC5H11O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.21E+14 -0.5 26440.01405. BC5H11+HO2<=>BC5H11O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.57E+18 -1.3 28990.01406. CC5H11+HO2<=>CC5H11O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.98E+17 -1.1 28430.01407. DC5H11+HO2<=>DC5H11O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.44E+15 -0.5 26440.01408. AC5H11+CH3O2<=>AC5H11O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.51E+13 -0.2 30680.01409. BC5H11+CH3O2<=>BC5H11O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.86E+17 -1.0 33230.01410. CC5H11+CH3O2<=>CC5H11O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.24E+16 -0.8 32670.01411. DC5H11+CH3O2<=>DC5H11O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.99E+13 -0.2 30680.01412. AC5H10<=>IC4H7+CH3 1.90E+20 -1.6 75930.0 Reverse Arrhenius coefficients: 2.55E+13 -0.3 -131.01413. AC5H10<=>C3H5-T+C2H5 8.92E+24 -2.4 100500.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.01414. BC5H10<=>C4H72-2+CH3 1.22E+23 -1.9 101400.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.01415. BC5H10<=>IC4H7+CH3 2.61E+19 -1.0 79020.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.01416. CC5H10<=>C4H71-3+CH3 1.30E+21 -1.6 76140.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.01417. AC5H10+OH<=>SC4H9+CH2O 2.00E+10 0.0 4000.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 20000.0

SUPPLEMENTAL MATERIAL1418. BC5H10+OH<=>IC3H7+CH3CHO 2.00E+10 0.0 4000.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 20000.01419. CC5H10+OH<=>IC4H9+CH2O 2.00E+10 0.0 4000.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 20000.01420. AC5H10+O<=>SC4H9+HCO 7.23E+05 2.3 -1050.0 Reverse Arrhenius coefficients: 2.00E+05 2.3 80300.01421. AC5H10+O<=>IC3H7+CH3CO 7.23E+05 2.3 -1050.0 Reverse Arrhenius coefficients: 2.00E+05 2.3 80300.01422. AC5H10+O<=>IC4H9+HCO 7.23E+05 2.3 -1050.0 Reverse Arrhenius coefficients: 2.00E+05 2.3 80300.01423. AC5H10+H<=>AC5H9-A2+H2 1.73E+05 2.5 2492.0 Reverse Arrhenius coefficients: 6.95E+06 1.9 20100.01424. AC5H10+H<=>AC5H9-C+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 4.35E+06 2.1 20330.01425. AC5H10+H<=>AC5H9-D+H2 6.65E+05 2.5 6756.0 Reverse Arrhenius coefficients: 3.04E+04 2.5 11040.01426. AC5H10+OH<=>AC5H9-A2+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 5.43E+08 1.4 32470.01427. AC5H10+OH<=>AC5H9-C+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 1.54E+06 2.4 33360.01428. AC5H10+OH<=>AC5H9-D+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.04E+09 1.0 21020.01429. AC5H10+CH3<=>AC5H9-A2+CH4 2.21E+00 3.5 5675.0 Reverse Arrhenius coefficients: 2.32E+03 2.9 23770.01430. AC5H10+CH3<=>AC5H9-C+CH4 3.69E+00 3.3 4002.0 Reverse Arrhenius coefficients: 1.24E+03 3.0 24600.01431. AC5H10+CH3<=>AC5H9-D+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 5.40E-01 3.6 11910.01432. AC5H10+HO2<=>AC5H9-A2+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 9.96E+06 1.7 15210.01433. AC5H10+HO2<=>AC5H9-C+H2O2 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.60E+06 2.0 14340.01434. AC5H10+HO2<=>AC5H9-D+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.80E+04 2.2 4466.01435. AC5H10+CH3O2<=>AC5H9-A2+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 2.07E+07 1.5 12190.01436. AC5H10+CH3O2<=>AC5H9-C+CH3O2H 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.33E+06 1.8 11320.01437. AC5H10+CH3O2<=>AC5H9-D+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.82E+04 2.0 1446.01438. AC5H10+CH3O<=>AC5H9-A2+CH3OH 9.00E+01 3.0 11990.0 Reverse Arrhenius coefficients: 1.74E+03 2.4 27870.01439. AC5H10+CH3O<=>AC5H9-C+CH3OH 4.00E+01 2.9 8609.0 Reverse Arrhenius coefficients: 2.49E+02 2.7 27000.01440. AC5H10+CH3O<=>AC5H9-D+CH3OH 2.17E+11 0.0 6458.0 Reverse Arrhenius coefficients: 4.78E+09 0.0 9008.01441. BC5H10+H<=>AC5H9-C+H2 3.46E+05 2.5 2492.0 Reverse Arrhenius coefficients: 1.27E+07 2.0 19650.01442. BC5H10+H<=>CC5H9-B+H2 1.73E+05 2.5 2492.0 Reverse Arrhenius coefficients: 7.02E+06 2.2 20400.01443. BC5H10+OH<=>AC5H9-C+H2O 6.24E+06 2.0 -298.0 Reverse Arrhenius coefficients: 9.94E+08 1.5 32020.01444. BC5H10+OH<=>CC5H9-B+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 5.48E+08 1.7 32770.01445. BC5H10+CH3<=>AC5H9-C+CH4 4.42E+00 3.5 5675.0 Reverse Arrhenius coefficients: 4.25E+03 3.0 23320.01446. BC5H10+CH3<=>CC5H9-B+CH4 2.21E+00 3.5 5675.0 Reverse Arrhenius coefficients: 2.34E+03 3.2 24060.01447. BC5H10+HO2<=>AC5H9-C+H2O2 1.93E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.82E+07 1.8 14760.01448. BC5H10+HO2<=>CC5H9-B+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.00E+07 1.9 15510.01449. BC5H10+CH3O2<=>AC5H9-C+CH3O2H 1.93E+04 2.6 13910.0 Reverse Arrhenius coefficients: 3.80E+07 1.6 11740.01450. BC5H10+CH3O2<=>CC5H9-B+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 2.09E+07 1.8 12490.01451. BC5H10+CH3O<=>AC5H9-C+CH3OH 1.80E+02 3.0 11990.0 Reverse Arrhenius coefficients: 3.19E+03 2.5 27420.01452. BC5H10+CH3O<=>CC5H9-B+CH3OH 9.00E+01 3.0 11990.0 Reverse Arrhenius coefficients: 1.76E+03 2.6 28170.01453. CC5H10+H<=>CC5H9-A+H2 1.33E+06 2.5 6756.0 Reverse Arrhenius coefficients: 6.15E+04 2.5 11030.01454. CC5H10+H<=>CC5H9-B+H2 2.65E+06 2.2 0.0 Reverse Arrhenius coefficients: 1.82E+07 2.1 22280.01455. CC5H10+OH<=>CC5H9-A+H2O 1.05E+10 1.0 1586.0 Reverse Arrhenius coefficients: 2.11E+09 1.0 21020.01456. CC5H10+OH<=>CC5H9-B+H2O 6.14E+02 3.2 -3500.0 Reverse Arrhenius coefficients: 1.83E+04 3.1 33940.01457. CC5H10+CH3<=>CC5H9-A+CH4 9.04E-01 3.6 7154.0 Reverse Arrhenius coefficients: 1.09E+00 3.6 11910.01458. CC5H10+CH3<=>CC5H9-B+CH4 4.61E+00 3.1 2330.0 Reverse Arrhenius coefficients: 8.28E+02 3.0 25090.01459. CC5H10+HO2<=>CC5H9-A+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.66E+04 2.2 4461.01460. CC5H10+HO2<=>CC5H9-B+H2O2 1.81E+03 2.5 7154.0 Reverse Arrhenius coefficients: 3.20E+05 2.1 13130.01461. CC5H10+CH3O2<=>CC5H9-A+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.18E+05 2.0 1441.01462. CC5H10+CH3O2<=>CC5H9-B+CH3O2H 1.81E+03 2.5 7154.0 Reverse Arrhenius coefficients: 6.66E+05 1.9 10110.01463. CC5H10+CH3O<=>CC5H9-A+CH3OH 4.34E+11 0.0 6458.0 Reverse Arrhenius coefficients: 9.68E+09 0.0 9003.01464. CC5H10+CH3O<=>CC5H9-B+CH3OH 1.00E+01 2.9 5231.0 Reverse Arrhenius coefficients: 3.31E+01 2.8 25790.01465. AC5H9-A2+HO2<=>AC5H9O-A2+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.75E+13 -0.2 13250.01466. AC5H9-A2+CH3O2<=>AC5H9O-A2+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.68E+15 -0.7 18010.01467. AC5H9-A2+C2H5O2<=>AC5H9O-A2+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.76E+12 0.2 15860.01468. AC5H9-C+HO2<=>AC5H9O-C+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.73E+15 -1.0 15620.01469. AC5H9-C+CH3O2<=>AC5H9O-C+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.67E+17 -1.5 20380.01470. AC5H9-C+C2H5O2<=>AC5H9O-C+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.75E+14 -0.6 18220.01471. AC5H9-D<=>AC5H9-A2 1.11E+12 0.0 31700.0 Reverse Arrhenius coefficients: 9.78E+14 -0.6 45030.01472. CC5H9-B+HO2<=>CC5H9O-B+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.94E+15 -1.0 16870.01473. CC5H9-B+CH3O2<=>CC5H9O-B+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.87E+17 -1.6 21640.01474. CC5H9-B+C2H5O2<=>CC5H9O-B+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.88E+14 -0.7 19480.01475. AC5H9O-A2<=>C4H71-2+CH2O 9.21E+17 -1.4 30330.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.01476. AC5H9O-C<=>CH3CHO+C3H5-T 3.23E+22 -2.6 30310.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.01477. CC5H9O-B<=>CH3COCH3+C2H3 7.81E+13 -0.2 22330.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.01478. AC5H11O2<=>AC5H11+O2 4.88E+19 -1.6 36040.0 Reverse Arrhenius coefficients: 2.26E+12 0.0 0.01479. BC5H11O2<=>BC5H11+O2 3.22E+24 -2.5 37820.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.01480. CC5H11O2<=>CC5H11+O2 4.06E+22 -2.2 38310.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.01481. DC5H11O2<=>DC5H11+O2 1.94E+20 -1.6 36040.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.01482. AC5H11O2+IC5H12<=>AC5H11O2H+AC5H11 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01483. BC5H11O2+IC5H12<=>BC5H11O2H+AC5H11 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01484. CC5H11O2+IC5H12<=>CC5H11O2H+AC5H11 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01485. DC5H11O2+IC5H12<=>DC5H11O2H+AC5H11 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01486. AC5H11O2+IC5H12<=>AC5H11O2H+BC5H11 2.02E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01487. BC5H11O2+IC5H12<=>BC5H11O2H+BC5H11 2.02E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01488. CC5H11O2+IC5H12<=>CC5H11O2H+BC5H11 2.02E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01489. DC5H11O2+IC5H12<=>DC5H11O2H+BC5H11 2.02E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01490. AC5H11O2+IC5H12<=>AC5H11O2H+CC5H11 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01491. BC5H11O2+IC5H12<=>BC5H11O2H+CC5H11 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01492. CC5H11O2+IC5H12<=>CC5H11O2H+CC5H11 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01493. DC5H11O2+IC5H12<=>DC5H11O2H+CC5H11 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01494. AC5H11O2+IC5H12<=>AC5H11O2H+DC5H11 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01495. BC5H11O2+IC5H12<=>BC5H11O2H+DC5H11 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01496. CC5H11O2+IC5H12<=>CC5H11O2H+DC5H11 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01497. DC5H11O2+IC5H12<=>DC5H11O2H+DC5H11 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01498. AC5H11+AC5H11O2<=>AC5H11O+AC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.52E+13 -0.1 30160.01499. AC5H11+BC5H11O2<=>AC5H11O+BC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.51E+13 -0.1 30940.01500. AC5H11+CC5H11O2<=>AC5H11O+CC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.77E+13 -0.2 29880.01501. AC5H11+DC5H11O2<=>AC5H11O+DC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.52E+13 -0.1 30160.01502. BC5H11+AC5H11O2<=>BC5H11O+AC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.60E+17 -1.0 32720.01503. BC5H11+BC5H11O2<=>BC5H11O+BC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.55E+16 -1.0 33500.01504. BC5H11+CC5H11O2<=>BC5H11O+CC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.75E+17 -1.0 32440.01505. BC5H11+DC5H11O2<=>BC5H11O+DC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.60E+17 -1.0 32720.01506. CC5H11+AC5H11O2<=>CC5H11O+AC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.90E+15 -0.8 32150.01507. CC5H11+BC5H11O2<=>CC5H11O+BC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.13E+15 -0.8 32930.01508. CC5H11+CC5H11O2<=>CC5H11O+CC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.58E+15 -0.8 31870.01509. CC5H11+DC5H11O2<=>CC5H11O+DC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.90E+15 -0.8 32150.01510. DC5H11+AC5H11O2<=>DC5H11O+AC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.02E+13 -0.1 30160.01511. DC5H11+BC5H11O2<=>DC5H11O+BC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.00E+13 -0.1 30940.01512. DC5H11+CC5H11O2<=>DC5H11O+CC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.51E+13 -0.2 29880.01513. DC5H11+DC5H11O2<=>DC5H11O+DC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.02E+13 -0.1 30160.01514. AC5H11O2+HO2<=>AC5H11O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.84E+13 -0.8 33620.01515. AC5H11O2+H2O2<=>AC5H11O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01516. AC5H11O2+AC5H11O2<=>O2+AC5H11O+AC5H11O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1517. AC5H11O2+BC5H11O2<=>O2+AC5H11O+BC5H11O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1518. AC5H11O2+CC5H11O2<=>O2+AC5H11O+CC5H11O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1519. AC5H11O2+DC5H11O2<=>O2+AC5H11O+DC5H11O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1520. AC5H11O2+CH3O2<=>AC5H11O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1521. BC5H11O2+HO2<=>BC5H11O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.78E+13 -0.8 33610.0

SUPPLEMENTAL MATERIAL1522. BC5H11O2+H2O2<=>BC5H11O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01523. BC5H11O2+BC5H11O2<=>O2+BC5H11O+BC5H11O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1524. BC5H11O2+CC5H11O2<=>O2+BC5H11O+CC5H11O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1525. BC5H11O2+DC5H11O2<=>O2+BC5H11O+DC5H11O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1526. BC5H11O2+CH3O2<=>BC5H11O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1527. CC5H11O2+HO2<=>CC5H11O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.37E+13 -0.8 33630.01528. CC5H11O2+H2O2<=>CC5H11O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01529. CC5H11O2+CC5H11O2<=>O2+CC5H11O+CC5H11O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1530. CC5H11O2+DC5H11O2<=>O2+CC5H11O+DC5H11O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1531. CC5H11O2+CH3O2<=>CC5H11O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1532. DC5H11O2+HO2<=>DC5H11O2H+O2 1.75E+10 -1.6 -3275.0 Reverse Arrhenius coefficients: 3.84E+13 -2.4 33620.01533. DC5H11O2+H2O2<=>DC5H11O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01534. DC5H11O2+DC5H11O2<=>O2+DC5H11O+DC5H11O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1535. DC5H11O2+CH3O2<=>DC5H11O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1536. AC5H11O2H<=>AC5H11O+OH 1.50E+16 0.0 42500.0 Reverse Arrhenius coefficients: 3.26E+07 1.9 -3002.01537. BC5H11O2H<=>BC5H11O+OH 5.95E+15 0.0 42540.0 Reverse Arrhenius coefficients: 7.88E+06 1.9 -2172.01538. CC5H11O2H<=>CC5H11O+OH 9.45E+15 0.0 41600.0 Reverse Arrhenius coefficients: 1.98E+07 1.9 -4192.01539. DC5H11O2H<=>DC5H11O+OH 1.50E+16 0.0 42500.0 Reverse Arrhenius coefficients: 3.26E+07 1.9 -3002.01540. AC5H11O<=>CH2O+SC4H9 2.42E+22 -2.6 24750.0 Reverse Arrhenius coefficients: 6.25E+10 0.0 11900.01541. BC5H11O<=>C2H5+CH3COCH3 1.43E+24 -3.0 18050.0 Reverse Arrhenius coefficients: 8.50E+10 0.0 11900.01542. CC5H11O<=>CH3CHO+IC3H7 8.73E+23 -3.0 19370.0 Reverse Arrhenius coefficients: 7.50E+10 0.0 11900.01543. DC5H11O<=>CH2O+IC4H9 2.61E+20 -2.2 25120.0 Reverse Arrhenius coefficients: 6.25E+10 0.0 11900.01544. AC5H11O2<=>AC5H10OOH-A 3.75E+10 0.0 24400.0 Reverse Arrhenius coefficients: 9.09E+10 -0.5 8950.01545. AC5H11O2<=>AC5H10OOH-B 1.00E+11 0.0 24100.0 Reverse Arrhenius coefficients: 2.51E+06 0.8 10780.01546. AC5H11O2<=>AC5H10OOH-C 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 2.89E+09 -0.1 7860.01547. AC5H11O2<=>AC5H10OOH-D 4.69E+09 0.0 22350.0 Reverse Arrhenius coefficients: 1.14E+10 -0.5 6900.01548. BC5H11O2<=>BC5H10OOH-A 6.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 1.34E+12 -0.5 13930.01549. BC5H11O2<=>BC5H10OOH-C 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.99E+10 -0.2 13890.01550. BC5H11O2<=>BC5H10OOH-D 3.75E+10 0.0 24400.0 Reverse Arrhenius coefficients: 8.34E+10 -0.5 8930.01551. CC5H11O2<=>CC5H10OOH-A 7.50E+10 0.0 24400.0 Reverse Arrhenius coefficients: 1.96E+11 -0.5 8950.01552. CC5H11O2<=>CC5H10OOH-B 1.00E+11 0.0 24100.0 Reverse Arrhenius coefficients: 5.58E+09 0.0 12940.01553. CC5H11O2<=>CC5H10OOH-D 3.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 7.83E+11 -0.5 13950.01554. DC5H11O2<=>DC5H10OOH-A 9.38E+09 0.0 22350.0 Reverse Arrhenius coefficients: 3.42E+10 -0.5 6900.01555. DC5H11O2<=>DC5H10OOH-B 1.25E+10 0.0 19100.0 Reverse Arrhenius coefficients: 7.05E+08 0.0 7970.01556. DC5H11O2<=>DC5H10OOH-C 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.31E+10 -0.1 13860.01557. AC5H11O2<=>AC5H10+HO2 4.53E+35 -7.2 39490.0 Reverse Arrhenius coefficients: 1.45E+27 -5.4 20720.01558. BC5H11O2<=>AC5H10+HO2 1.01E+43 -9.4 41490.0 Reverse Arrhenius coefficients: 2.69E+32 -7.2 16620.01559. BC5H11O2<=>BC5H10+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 4.68E+27 -5.7 18580.01560. CC5H11O2<=>BC5H10+HO2 4.53E+35 -7.2 39490.0 Reverse Arrhenius coefficients: 2.98E+25 -4.9 18890.01561. CC5H11O2<=>CC5H10+HO2 5.07E+42 -9.4 41490.0 Reverse Arrhenius coefficients: 1.97E+33 -7.3 16520.01562. DC5H11O2<=>CC5H10+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 1.68E+30 -6.3 20310.01563. AC5H10OOH-B<=>A-BC5H10O+OH 4.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1564. AC5H10OOH-A<=>A-AC5H10O+OH 5.00E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1565. AC5H10OOH-C<=>A-CC5H10O+OH 5.00E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1566. AC5H10OOH-D<=>A-DC5H10O+OH 6.25E+09 0.0 6000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1567. BC5H10OOH-A<=>A-BC5H10O+OH 4.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1568. BC5H10OOH-C<=>B-CC5H10O+OH 4.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1569. BC5H10OOH-D<=>B-DC5H10O+OH 5.00E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1570. CC5H10OOH-B<=>B-CC5H10O+OH 4.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1571. CC5H10OOH-D<=>C-DC5H10O+OH 4.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1572. CC5H10OOH-A<=>A-CC5H10O+OH 5.00E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1573. DC5H10OOH-C<=>C-DC5H10O+OH 4.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1574. DC5H10OOH-B<=>B-DC5H10O+OH 5.00E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1575. DC5H10OOH-A<=>A-DC5H10O+OH 6.25E+09 0.0 6000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1576. AC5H10OOH-B<=>AC5H10+HO2 7.82E+14 -1.1 16450.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11000.01577. BC5H10OOH-A<=>AC5H10+HO2 8.40E+21 -2.7 21150.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11750.01578. BC5H10OOH-C<=>BC5H10+HO2 1.61E+21 -2.6 20700.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11750.01579. CC5H10OOH-B<=>BC5H10+HO2 8.48E+19 -2.3 21190.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11750.01580. CC5H10OOH-D<=>CC5H10+HO2 6.72E+20 -2.6 21270.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11750.01581. DC5H10OOH-C<=>CC5H10+HO2 3.47E+18 -1.9 18190.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11000.01582. AC5H10OOH-C<=>OH+CH2O+C4H8-2 2.72E+14 -0.5 29030.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1583. AC5H10OOH-A<=>OH+CH2O+C4H8-1 4.06E+15 -0.7 29390.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1584. BC5H10OOH-D<=>OH+CH3COCH3+C2H4 1.18E+20 -2.1 24210.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1585. CC5H10OOH-A<=>OH+CH3CHO+C3H6 8.22E+19 -1.9 26470.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1586. DC5H10OOH-B<=>OH+CH2O+IC4H8 7.48E+11 -0.7 30780.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1587. AC5H10OOH-AO2<=>AC5H10OOH-A+O2 3.12E+20 -1.6 35700.0 Reverse Arrhenius coefficients: 2.26E+12 0.0 0.01588. AC5H10OOH-BO2<=>AC5H10OOH-B+O2 4.73E+27 -3.2 39640.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.01589. AC5H10OOH-CO2<=>AC5H10OOH-C+O2 1.37E+23 -2.3 37990.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.01590. AC5H10OOH-DO2<=>AC5H10OOH-D+O2 3.14E+20 -1.6 35700.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.01591. BC5H10OOH-AO2<=>BC5H10OOH-A+O2 7.07E+19 -1.6 35690.0 Reverse Arrhenius coefficients: 2.26E+12 0.0 0.01592. BC5H10OOH-CO2<=>BC5H10OOH-C+O2 4.42E+22 -2.2 37930.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.01593. BC5H10OOH-DO2<=>BC5H10OOH-D+O2 2.82E+20 -1.6 35690.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.01594. CC5H10OOH-AO2<=>CC5H10OOH-A+O2 1.07E+20 -1.6 35660.0 Reverse Arrhenius coefficients: 2.26E+12 0.0 0.01595. CC5H10OOH-BO2<=>CC5H10OOH-B+O2 1.57E+24 -2.4 37440.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.01596. CC5H10OOH-DO2<=>CC5H10OOH-D+O2 2.13E+20 -1.6 35660.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.01597. DC5H10OOH-AO2<=>DC5H10OOH-A+O2 5.23E+19 -1.6 35700.0 Reverse Arrhenius coefficients: 2.26E+12 0.0 0.01598. DC5H10OOH-BO2<=>DC5H10OOH-B+O2 2.11E+24 -2.5 37450.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.01599. DC5H10OOH-CO2<=>DC5H10OOH-C+O2 6.90E+22 -2.3 37990.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.01600. AC5H10OOH-AO2<=>IC5KETAA+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 1.08E+03 1.4 44430.01601. AC5H10OOH-BO2<=>IC5KETAB+OH 2.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 9.21E+04 1.2 48730.01602. AC5H10OOH-CO2<=>IC5KETAC+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 1.47E+03 1.4 44460.01603. AC5H10OOH-DO2<=>IC5KETAD+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 2.70E+02 1.4 42380.01604. CC5H10OOH-AO2<=>IC5KETCA+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 6.80E+01 1.8 43590.01605. CC5H10OOH-BO2<=>IC5KETCB+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 7.50E+03 1.6 48930.01606. CC5H10OOH-DO2<=>IC5KETCD+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 5.04E+02 1.8 49730.01607. DC5H10OOH-AO2<=>IC5KETDA+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 1.60E+02 1.5 42680.01608. DC5H10OOH-BO2<=>IC5KETDB+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 1.36E+03 1.5 44730.01609. DC5H10OOH-CO2<=>IC5KETDC+OH 2.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 2.71E+04 1.3 48910.01610. IC5KETAA<=>CH2O+C3H6CHO-3+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1611. IC5KETAB<=>C2H5COCH3+HCO+OH 9.50E+15 0.0 42540.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1612. IC5KETAC<=>CH3CHO+CH3CHCHO+OH 1.05E+16 0.0 41600.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1613. IC5KETAD<=>CH2O+IC3H6CHO+OH 1.50E+16 0.0 42000.0

SUPPLEMENTAL MATERIAL REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1614. IC5KETCA<=>CH2O+CH3CHCOCH3+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1615. IC5KETCB<=>CH3COCH3+CH3CO+OH 9.50E+15 0.0 42540.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1616. IC5KETCD<=>CH2O+IC3H7CO+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1617. IC5KETDA<=>CH2O+C3H6CHO-2+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1618. IC5KETDB<=>CH3COCH3+CH2CHO+OH 9.50E+15 0.0 42540.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1619. IC5KETDC<=>IC3H7CHO+HCO+OH 1.05E+16 0.0 41600.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1620. A-AC5H10O+OH<=>CH2O+C4H71-2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1621. A-BC5H10O+OH<=>IC3H5CHO+CH3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1622. A-CC5H10O+OH<=>C3H6+CH3CO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1623. A-DC5H10O+OH<=>C3H6+CH2CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1624. B-CC5H10O+OH<=>IC3H5COCH3+H+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1625. B-DC5H10O+OH<=>IC4H8+HCO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1626. C-DC5H10O+OH<=>CH2CO+IC3H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1627. A-AC5H10O+OH<=>C2H3CHO+C2H5+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1628. A-BC5H10O+OH<=>CH2O+C4H72-2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1629. A-CC5H10O+OH<=>C3H5-T+CH3CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1630. A-DC5H10O+OH<=>CH3CHCHO+C2H4+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1631. B-CC5H10O+OH<=>IC3H5CHO+CH3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1632. B-DC5H10O+OH<=>CH3COCH3+C2H3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1633. C-DC5H10O+OH<=>SC3H5CHO+CH3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1634. A-AC5H10O+HO2<=>CH2O+C4H71-2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1635. A-BC5H10O+HO2<=>IC3H5CHO+CH3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1636. A-CC5H10O+HO2<=>C3H6+CH3CO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1637. A-DC5H10O+HO2<=>C3H6+CH2CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1638. B-CC5H10O+HO2<=>IC3H5COCH3+H+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1639. B-DC5H10O+HO2<=>IC4H8+HCO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1640. C-DC5H10O+HO2<=>CH2CO+IC3H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1641. A-AC5H10O+HO2<=>C2H3CHO+C2H5+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1642. A-BC5H10O+HO2<=>CH2O+C4H72-2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1643. A-CC5H10O+HO2<=>C3H5-T+CH3CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1644. A-DC5H10O+HO2<=>CH3CHCHO+C2H4+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1645. B-CC5H10O+HO2<=>IC3H5CHO+CH3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1646. B-DC5H10O+HO2<=>CH3COCH3+C2H3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1647. C-DC5H10O+HO2<=>SC3H5CHO+CH3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1648. AC5H10OH<=>AC5H10+OH 7.85E+13 -0.3 28180.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.01649. AO2C5H10OH<=>AC5H10OH+O2 2.32E+22 -2.2 37130.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.01650. AO2C5H10OH<=>C2H5COCH3+CH2O+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1651. BC5H10OH<=>BC5H10+OH 1.09E+16 -0.9 29680.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.01652. BO2C5H10OH<=>BC5H10OH+O2 1.03E+22 -2.1 37110.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.01653. BO2C5H10OH<=>CH3COCH3+CH3CHO+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1654. CC5H10OH<=>CC5H10+OH 1.16E+15 -0.6 27900.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.01655. CO2C5H10OH<=>CC5H10OH+O2 8.04E+20 -1.8 37640.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.01656. CO2C5H10OH<=>IC3H7CHO+CH2O+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1657. CH3CHCHO<=>C2H3CHO+H 3.52E+15 -0.5 41060.0 Reverse Arrhenius coefficients: 6.50E+12 0.0 2900.01658. CH3CHCHO<=>CH3CHCO+H 1.14E+16 -0.7 40310.0 Reverse Arrhenius coefficients: 5.00E+12 0.0 1200.01659. CH3CHCHO+H2<=>C2H5CHO+H 2.16E+05 2.4 18990.0 Reverse Arrhenius coefficients: 4.31E+04 2.6 5265.01660. IC3H5COCH3<=>IC3H5CO+CH3 2.20E+17 -0.5 75220.0 Reverse Arrhenius coefficients: 9.64E+12 0.0 0.01661. IC3H5COCH3<=>C3H5-T+CH3CO 6.07E+24 -2.2 96960.0 Reverse Arrhenius coefficients: 9.64E+12 0.0 0.01662. IC3H5COCH3+OH<=>IC3H5COCH2+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 6.44E+13 -0.7 27660.01663. IC3H5COCH3+O<=>IC3H5COCH2+OH 5.00E+12 0.0 5962.0 Reverse Arrhenius coefficients: 6.40E+13 -0.7 15180.01664. IC3H5COCH3+H<=>IC3H5COCH2+H2 9.30E+12 0.0 6357.0 Reverse Arrhenius coefficients: 2.71E+14 -0.7 17670.01665. IC3H5COCH3+CH3<=>IC3H5COCH2+CH4 1.62E+11 0.0 9630.0 Reverse Arrhenius coefficients: 1.23E+14 -0.7 21420.01666. IC3H5COCH3+HO2<=>IC3H5COCH2+H2O2 8.50E+12 0.0 20460.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8000.01667. IC3H5COCH3+O2<=>IC3H5COCH2+HO2 6.00E+13 0.0 46000.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 2000.01668. IC3H5COCH2<=>C3H5-T+CH2CO 1.00E+14 0.0 31000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 6000.01669. IC3H5COCH3+OH<=>AC3H4COCH3+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 2.68E+08 1.4 32460.01670. IC3H5COCH3+O<=>AC3H4COCH3+OH 6.03E+10 0.7 7633.0 Reverse Arrhenius coefficients: 5.25E+11 0.1 23140.01671. IC3H5COCH3+H<=>AC3H4COCH3+H2 1.73E+05 2.5 2492.0 Reverse Arrhenius coefficients: 3.43E+06 1.9 20090.01672. IC3H5COCH3+CH3<=>AC3H4COCH3+CH4 2.21E+00 3.5 5675.0 Reverse Arrhenius coefficients: 1.14E+03 2.9 23760.01673. IC3H5COCH3+HO2<=>AC3H4COCH3+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 4.91E+06 1.7 15200.01674. IC3H5COCH3+O2<=>AC3H4COCH3+HO2 6.03E+13 0.0 47590.0 Reverse Arrhenius coefficients: 2.17E+13 -0.3 7712.01675. AC3H4COCH3<=>C3H4-A+CH3CO 1.40E+13 0.0 60000.0 Reverse Arrhenius coefficients: 2.68E+00 2.9 12300.01676. IC6H14<=>IC4H9+C2H5 5.29E+23 -2.2 88670.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.01677. IC6H14<=>IC3H7+NC3H7 3.48E+25 -2.6 88150.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.01678. IC6H14<=>DC5H11+CH3 1.30E+22 -1.8 89660.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.01679. IC6H14<=>C5H11-2+CH3 1.40E+19 -0.7 87100.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.01680. IC6H14<=>AC6H13+H 6.79E+16 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.01681. IC6H14<=>BC6H13+H 3.68E+18 -0.9 96720.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.01682. IC6H14<=>CC6H13+H 1.00E+18 -0.7 98700.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.01683. IC6H14<=>DC6H13+H 1.00E+18 -0.7 98700.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.01684. IC6H14<=>EC6H13+H 6.79E+16 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.01685. IC6H14+H<=>AC6H13+H2 1.88E+05 2.8 6280.0 Reverse Arrhenius coefficients: 3.99E+01 3.4 8620.01686. IC6H14+H<=>BC6H13+H2 6.02E+05 2.4 2583.0 Reverse Arrhenius coefficients: 2.36E+00 3.6 9425.01687. IC6H14+H<=>CC6H13+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.86E+01 3.4 9326.01688. IC6H14+H<=>DC6H13+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.86E+01 3.4 9326.01689. IC6H14+H<=>EC6H13+H2 9.40E+04 2.8 6280.0 Reverse Arrhenius coefficients: 2.00E+01 3.4 8620.01690. IC6H14+O<=>AC6H13+OH 2.70E+07 2.0 5136.0 Reverse Arrhenius coefficients: 3.01E+03 2.6 6064.01691. IC6H14+O<=>BC6H13+OH 3.97E+05 2.4 1150.0 Reverse Arrhenius coefficients: 8.16E-01 3.6 6580.01692. IC6H14+O<=>CC6H13+OH 5.95E+05 2.4 2846.0 Reverse Arrhenius coefficients: 4.48E+00 3.4 6289.01693. IC6H14+O<=>DC6H13+OH 5.95E+05 2.4 2846.0 Reverse Arrhenius coefficients: 4.48E+00 3.4 6289.01694. IC6H14+O<=>EC6H13+OH 1.05E+06 2.4 4766.0 Reverse Arrhenius coefficients: 1.17E+02 3.0 5694.01695. IC6H14+OH<=>AC6H13+H2O 1.05E+10 1.0 1590.0 Reverse Arrhenius coefficients: 2.38E+07 1.5 18820.01696. IC6H14+OH<=>BC6H13+H2O 5.73E+10 0.5 63.0 Reverse Arrhenius coefficients: 2.39E+06 1.6 21800.01697. IC6H14+OH<=>CC6H13+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 7.13E+03 2.5 19710.01698. IC6H14+OH<=>DC6H13+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 7.13E+03 2.5 19710.01699. IC6H14+OH<=>EC6H13+H2O 5.27E+09 1.0 1590.0 Reverse Arrhenius coefficients: 1.19E+07 1.5 18820.01700. IC6H14+CH3<=>AC6H13+CH4 9.07E-01 3.6 7154.0 Reverse Arrhenius coefficients: 1.76E-01 3.8 11030.0

SUPPLEMENTAL MATERIAL1701. IC6H14+CH3<=>BC6H13+CH4 6.01E-10 6.4 893.0 Reverse Arrhenius coefficients: 2.15E-12 7.1 9275.01702. IC6H14+CH3<=>CC6H13+CH4 8.40E+04 2.1 7574.0 Reverse Arrhenius coefficients: 1.10E+03 2.7 13970.01703. IC6H14+CH3<=>DC6H13+CH4 8.40E+04 2.1 7574.0 Reverse Arrhenius coefficients: 1.10E+03 2.7 13970.01704. IC6H14+CH3<=>EC6H13+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 8.76E-02 3.8 11030.01705. IC6H14+HO2<=>AC6H13+H2O2 8.10E+04 2.5 16690.0 Reverse Arrhenius coefficients: 9.96E+03 2.4 3030.01706. IC6H14+HO2<=>BC6H13+H2O2 1.50E+04 2.5 12260.0 Reverse Arrhenius coefficients: 3.40E+01 3.0 3101.01707. IC6H14+HO2<=>CC6H13+H2O2 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 4.88E+02 2.8 3717.01708. IC6H14+HO2<=>DC6H13+H2O2 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 4.88E+02 2.8 3717.01709. IC6H14+HO2<=>EC6H13+H2O2 4.05E+04 2.5 16690.0 Reverse Arrhenius coefficients: 4.98E+03 2.4 3030.01710. IC6H14+CH3O<=>AC6H13+CH3OH 3.20E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.01711. IC6H14+CH3O<=>BC6H13+CH3OH 1.90E+10 0.0 2800.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 5200.01712. IC6H14+CH3O<=>CC6H13+CH3OH 1.10E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.91E+09 0.0 7200.01713. IC6H14+CH3O<=>DC6H13+CH3OH 1.10E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.91E+09 0.0 7200.01714. IC6H14+CH3O<=>EC6H13+CH3OH 1.58E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.01715. IC6H14+O2<=>AC6H13+HO2 4.20E+13 0.0 52800.0 Reverse Arrhenius coefficients: 4.68E+10 0.3 456.01716. IC6H14+O2<=>BC6H13+HO2 7.00E+12 0.0 48000.0 Reverse Arrhenius coefficients: 1.44E+08 0.9 157.91717. IC6H14+O2<=>CC6H13+HO2 1.40E+13 0.0 50160.0 Reverse Arrhenius coefficients: 1.05E+09 0.6 321.01718. IC6H14+O2<=>DC6H13+HO2 1.40E+13 0.0 50160.0 Reverse Arrhenius coefficients: 1.05E+09 0.6 321.01719. IC6H14+O2<=>EC6H13+HO2 2.10E+13 0.0 52800.0 Reverse Arrhenius coefficients: 2.34E+10 0.3 456.01720. IC6H14+C2H5<=>AC6H13+C2H6 1.00E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.01721. IC6H14+C2H5<=>BC6H13+C2H6 1.00E+11 0.0 7900.0 Reverse Arrhenius coefficients: 3.00E+11 0.0 21000.01722. IC6H14+C2H5<=>CC6H13+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.01723. IC6H14+C2H5<=>DC6H13+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.01724. IC6H14+C2H5<=>EC6H13+C2H6 5.00E+10 0.0 13400.0 Reverse Arrhenius coefficients: 3.24E+11 0.0 12300.01725. IC6H14+C2H3<=>AC6H13+C2H4 1.00E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.60E+12 0.0 25400.01726. IC6H14+C2H3<=>BC6H13+C2H4 2.00E+11 0.0 14300.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 23000.01727. IC6H14+C2H3<=>CC6H13+C2H4 3.98E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.01728. IC6H14+C2H3<=>DC6H13+C2H4 3.98E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.01729. IC6H14+C2H3<=>EC6H13+C2H4 5.00E+11 0.0 18000.0 Reverse Arrhenius coefficients: 2.51E+12 0.0 25400.01730. IC6H14+CH3O2<=>AC6H13+CH3O2H 8.10E+04 2.5 16690.0 Reverse Arrhenius coefficients: 1.94E+05 2.0 1435.01731. IC6H14+CH3O2<=>BC6H13+CH3O2H 1.50E+04 2.5 12260.0 Reverse Arrhenius coefficients: 6.62E+02 2.6 1506.01732. IC6H14+CH3O2<=>CC6H13+CH3O2H 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 9.50E+03 2.3 2122.01733. IC6H14+CH3O2<=>DC6H13+CH3O2H 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 9.50E+03 2.3 2122.01734. IC6H14+CH3O2<=>EC6H13+CH3O2H 4.05E+04 2.5 16690.0 Reverse Arrhenius coefficients: 9.69E+04 2.0 1435.01735. IC6H14+AC6H13<=>BC6H13+IC6H14 2.50E+10 0.0 7900.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.01736. IC6H14+AC6H13<=>CC6H13+IC6H14 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.01737. IC6H14+AC6H13<=>DC6H13+IC6H14 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.01738. IC6H14+AC6H13<=>EC6H13+IC6H14 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.01739. IC6H14+BC6H13<=>CC6H13+IC6H14 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 2.50E+10 0.0 7900.01740. IC6H14+BC6H13<=>DC6H13+IC6H14 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 2.50E+10 0.0 7900.01741. IC6H14+BC6H13<=>EC6H13+IC6H14 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 2.50E+10 0.0 7900.01742. IC6H14+CC6H13<=>DC6H13+IC6H14 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 10400.01743. IC6H14+CC6H13<=>EC6H13+IC6H14 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 10400.01744. IC6H14+DC6H13<=>EC6H13+IC6H14 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 10400.01745. AC6H13O2+IC6H14<=>AC6H13O2H+AC6H13 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01746. BC6H13O2+IC6H14<=>BC6H13O2H+AC6H13 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01747. CC6H13O2+IC6H14<=>CC6H13O2H+AC6H13 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01748. DC6H13O2+IC6H14<=>DC6H13O2H+AC6H13 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01749. EC6H13O2+IC6H14<=>EC6H13O2H+AC6H13 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01750. AC6H13O2+IC6H14<=>AC6H13O2H+BC6H13 2.02E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01751. BC6H13O2+IC6H14<=>BC6H13O2H+BC6H13 2.02E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01752. CC6H13O2+IC6H14<=>CC6H13O2H+BC6H13 2.02E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01753. DC6H13O2+IC6H14<=>DC6H13O2H+BC6H13 2.02E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01754. EC6H13O2+IC6H14<=>EC6H13O2H+BC6H13 2.02E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01755. AC6H13O2+IC6H14<=>AC6H13O2H+CC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01756. BC6H13O2+IC6H14<=>BC6H13O2H+CC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01757. CC6H13O2+IC6H14<=>CC6H13O2H+CC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01758. DC6H13O2+IC6H14<=>DC6H13O2H+CC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01759. EC6H13O2+IC6H14<=>EC6H13O2H+CC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01760. AC6H13O2+IC6H14<=>AC6H13O2H+DC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01761. BC6H13O2+IC6H14<=>BC6H13O2H+DC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01762. CC6H13O2+IC6H14<=>CC6H13O2H+DC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01763. DC6H13O2+IC6H14<=>DC6H13O2H+DC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01764. EC6H13O2+IC6H14<=>EC6H13O2H+DC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01765. AC6H13O2+IC6H14<=>AC6H13O2H+EC6H13 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01766. BC6H13O2+IC6H14<=>BC6H13O2H+EC6H13 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01767. CC6H13O2+IC6H14<=>CC6H13O2H+EC6H13 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01768. DC6H13O2+IC6H14<=>DC6H13O2H+EC6H13 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01769. EC6H13O2+IC6H14<=>EC6H13O2H+EC6H13 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.01770. IC6H14+O2CHO<=>AC6H13+HO2CHO 1.68E+13 0.0 20440.0 Reverse Arrhenius coefficients: 1.14E+03 2.3 3065.01771. IC6H14+O2CHO<=>BC6H13+HO2CHO 2.80E+12 0.0 16010.0 Reverse Arrhenius coefficients: 3.50E+00 2.9 3145.01772. IC6H14+O2CHO<=>CC6H13+HO2CHO 5.60E+12 0.0 17690.0 Reverse Arrhenius coefficients: 2.56E+01 2.6 2831.01773. IC6H14+O2CHO<=>DC6H13+HO2CHO 5.60E+12 0.0 17690.0 Reverse Arrhenius coefficients: 2.56E+01 2.6 2831.01774. IC6H14+O2CHO<=>EC6H13+HO2CHO 8.40E+12 0.0 20440.0 Reverse Arrhenius coefficients: 5.69E+02 2.3 3065.01775. AC6H13<=>NC3H7+C3H6 1.82E+21 -2.2 32260.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 9200.01776. AC6H13<=>C5H10-1+CH3 2.12E+18 -1.4 33320.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 9200.01777. AC6H13<=>AC6H12+H 2.12E+14 -0.3 35160.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 3200.01778. BC6H13<=>IC4H8+C2H5 1.05E+19 -1.6 30790.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 7200.01779. BC6H13<=>AC6H12+H 3.92E+12 0.3 37660.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 1200.01780. BC6H13<=>BC6H12+H 8.02E+12 0.1 36490.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.01781. CC6H13<=>C5H10-2+CH3 4.11E+18 -1.6 32980.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 9200.01782. CC6H13<=>BC6H12+H 2.94E+13 -0.1 34800.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 3200.01783. CC6H13<=>CC6H12+H 1.37E+13 -0.1 35920.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.01784. DC6H13<=>IC3H7+C3H6 7.77E+20 -2.2 30830.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 7800.01785. DC6H13<=>CC6H12+H 1.37E+13 -0.1 35920.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.01786. DC6H13<=>DC6H12+H 6.43E+12 0.1 36820.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 1200.01787. EC6H13<=>IC4H9+C2H4 2.15E+19 -1.9 30740.0 Reverse Arrhenius coefficients: 1.70E+11 0.0 7200.01788. EC6H13<=>DC6H12+H 9.53E+13 -0.3 36010.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.01789. AC6H13+O2<=>AC6H12+HO2 1.50E-19 0.0 2000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01790. BC6H13+O2<=>AC6H12+HO2 9.00E-19 0.0 5020.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01791. BC6H13+O2<=>BC6H12+HO2 3.00E-19 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01792. CC6H13+O2<=>BC6H12+HO2 1.50E-19 0.0 2000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01793. CC6H13+O2<=>CC6H12+HO2 3.00E-19 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01794. DC6H13+O2<=>CC6H12+HO2 3.00E-19 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01795. DC6H13+O2<=>DC6H12+HO2 4.50E-19 0.0 5020.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01796. EC6H13+O2<=>DC6H12+HO2 3.00E-19 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.01797. AC6H13<=>DC6H13 2.00E+11 0.0 18100.0 Reverse Arrhenius coefficients: 6.00E+11 0.0 21100.01798. AC6H13<=>EC6H13 3.00E+11 0.0 14100.0 Reverse Arrhenius coefficients: 6.00E+11 0.0 14100.01799. BC6H13<=>EC6H13 3.00E+11 0.0 21100.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 16100.01800. AC6H12+OH<=>C5H11-2+CH2O 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1801. BC6H12+OH<=>CH3COCH3+NC3H7 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1802. BC6H12+OH<=>C2H5CHO+IC3H7 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1803. CC6H12+OH<=>IC4H9+CH3CHO 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1804. DC6H12+OH<=>DC5H11+CH2O 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible

SUPPLEMENTAL MATERIAL1805. AC6H12+O<=>C5H11-2+HCO 1.00E+11 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1806. CC6H12+O<=>IC4H9+CH3CO 1.00E+11 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1807. DC6H12+O<=>DC5H11+HCO 1.00E+11 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1808. AC6H12<=>IC4H7+C2H5 1.00E+16 0.0 71000.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.01809. BC6H12<=>CH3+CC5H9-B 1.00E+16 0.0 71000.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.01810. CC6H12<=>CH3+C5H92-4 1.00E+16 0.0 71000.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.01811. DC6H12<=>IC3H7+C3H5-A 1.00E+16 0.0 71000.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.01812. AC6H12+H<=>AC6H11-A2+H2 1.73E+05 2.5 2492.0 Reverse Arrhenius coefficients: 7.05E+06 1.9 20100.01813. AC6H12+H<=>AC6H11-C+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 4.37E+06 2.1 20330.01814. AC6H12+H<=>AC6H11-D+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 3.91E+03 2.7 11260.01815. AC6H12+H<=>AC6H11-E+H2 6.65E+05 2.5 6756.0 Reverse Arrhenius coefficients: 3.08E+04 2.5 11040.01816. AC6H12+OH<=>AC6H11-A2+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 5.50E+08 1.4 32470.01817. AC6H12+OH<=>AC6H11-C+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 1.55E+06 2.4 33360.01818. AC6H12+OH<=>AC6H11-D+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 6.08E+05 1.9 21910.01819. AC6H12+OH<=>AC6H11-E+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.06E+09 1.0 21020.01820. AC6H12+CH3<=>AC6H11-A2+CH4 2.21E+00 3.5 5675.0 Reverse Arrhenius coefficients: 2.35E+03 2.9 23760.01821. AC6H12+CH3<=>AC6H11-C+CH4 3.69E+00 3.3 4002.0 Reverse Arrhenius coefficients: 1.25E+03 3.0 24600.01822. AC6H12+CH3<=>AC6H11-D+CH4 1.51E+00 3.5 5481.0 Reverse Arrhenius coefficients: 1.19E-01 3.8 12750.01823. AC6H12+CH3<=>AC6H11-E+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 5.46E-01 3.6 11910.01824. AC6H12+HO2<=>AC6H11-A2+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.01E+07 1.7 15210.01825. AC6H12+HO2<=>AC6H11-C+H2O2 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.60E+06 2.0 14340.01826. AC6H12+HO2<=>AC6H11-D+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 7.46E+02 2.6 4392.01827. AC6H12+HO2<=>AC6H11-E+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.83E+04 2.2 4466.01828. AC6H12+CH3O2<=>AC6H11-A2+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 2.10E+07 1.5 12190.01829. AC6H12+CH3O2<=>AC6H11-C+CH3O2H 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.34E+06 1.8 11320.01830. AC6H12+CH3O2<=>AC6H11-D+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.55E+03 2.4 1372.01831. AC6H12+CH3O2<=>AC6H11-E+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.89E+04 2.0 1446.01832. AC6H12+CH3O<=>AC6H11-A2+CH3OH 9.00E+01 3.0 11990.0 Reverse Arrhenius coefficients: 1.77E+03 2.4 27870.01833. AC6H12+CH3O<=>AC6H11-C+CH3OH 4.00E+01 2.9 8609.0 Reverse Arrhenius coefficients: 2.50E+02 2.7 27000.01834. AC6H12+CH3O<=>AC6H11-D+CH3OH 1.45E+11 0.0 4571.0 Reverse Arrhenius coefficients: 2.10E+08 0.4 9631.01835. AC6H12+CH3O<=>AC6H11-E+CH3OH 2.17E+11 0.0 6458.0 Reverse Arrhenius coefficients: 4.84E+09 0.0 9008.01836. BC6H12+H<=>AC6H11-C+H2 3.46E+05 2.5 2492.0 Reverse Arrhenius coefficients: 9.18E+06 2.1 19740.01837. BC6H12+H<=>CC6H11-B+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 2.50E+06 2.3 21040.01838. BC6H12+H<=>BC6H11-E+H2 6.65E+05 2.5 6756.0 Reverse Arrhenius coefficients: 3.09E+04 2.5 11040.01839. BC6H12+OH<=>AC6H11-C+H2O 6.24E+06 2.0 -298.0 Reverse Arrhenius coefficients: 7.17E+08 1.6 32110.01840. BC6H12+OH<=>CC6H11-B+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 8.85E+05 2.5 34070.01841. BC6H12+OH<=>BC6H11-E+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.06E+09 1.0 21020.01842. BC6H12+CH3<=>AC6H11-C+CH4 4.42E+00 3.5 5675.0 Reverse Arrhenius coefficients: 3.06E+03 3.1 23410.01843. BC6H12+CH3<=>CC6H11-B+CH4 3.69E+00 3.3 4002.0 Reverse Arrhenius coefficients: 7.13E+02 3.2 25310.01844. BC6H12+CH3<=>BC6H11-E+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 5.49E-01 3.6 11910.01845. BC6H12+HO2<=>AC6H11-C+H2O2 1.93E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.32E+07 1.8 14850.01846. BC6H12+HO2<=>CC6H11-B+H2O2 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 9.16E+05 2.1 15050.01847. BC6H12+HO2<=>BC6H11-E+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.84E+04 2.2 4466.01848. BC6H12+CH3O2<=>AC6H11-C+CH3O2H 1.93E+04 2.6 13910.0 Reverse Arrhenius coefficients: 2.74E+07 1.7 11830.01849. BC6H12+CH3O2<=>CC6H11-B+CH3O2H 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.91E+06 1.9 12030.01850. BC6H12+CH3O2<=>BC6H11-E+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.92E+04 2.0 1446.01851. BC6H12+CH3O<=>AC6H11-C+CH3OH 1.80E+02 3.0 11990.0 Reverse Arrhenius coefficients: 2.30E+03 2.5 27510.01852. BC6H12+CH3O<=>CC6H11-B+CH3OH 4.00E+01 2.9 8609.0 Reverse Arrhenius coefficients: 1.43E+02 2.8 27710.01853. BC6H12+CH3O<=>BC6H11-E+CH3OH 2.17E+11 0.0 6458.0 Reverse Arrhenius coefficients: 4.86E+09 0.0 9008.01854. CC6H12+H<=>CC6H11-A+H2 1.33E+06 2.5 6756.0 Reverse Arrhenius coefficients: 6.09E+04 2.5 11050.01855. CC6H12+H<=>CC6H11-B+H2 2.65E+06 2.2 0.0 Reverse Arrhenius coefficients: 9.15E+06 2.1 22250.01856. CC6H12+H<=>DC6H11-C+H2 1.73E+05 2.5 2492.0 Reverse Arrhenius coefficients: 4.83E+06 2.1 20020.01857. CC6H12+OH<=>CC6H11-A+H2O 1.05E+10 1.0 1586.0 Reverse Arrhenius coefficients: 2.09E+09 1.0 21030.01858. CC6H12+OH<=>CC6H11-B+H2O 6.14E+02 3.2 -3500.0 Reverse Arrhenius coefficients: 9.18E+03 3.1 33910.01859. CC6H12+OH<=>DC6H11-C+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 3.77E+08 1.6 32390.01860. CC6H12+CH3<=>CC6H11-A+CH4 9.04E-01 3.6 7154.0 Reverse Arrhenius coefficients: 1.08E+00 3.6 11920.01861. CC6H12+CH3<=>CC6H11-B+CH4 4.61E+00 3.1 2330.0 Reverse Arrhenius coefficients: 4.16E+02 3.0 25060.01862. CC6H12+CH3<=>DC6H11-C+CH4 2.21E+00 3.5 5675.0 Reverse Arrhenius coefficients: 1.61E+03 3.1 23690.01863. CC6H12+HO2<=>CC6H11-A+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.60E+04 2.2 4476.01864. CC6H12+HO2<=>CC6H11-B+H2O2 1.81E+03 2.5 7154.0 Reverse Arrhenius coefficients: 1.61E+05 2.1 13100.01865. CC6H12+HO2<=>DC6H11-C+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 6.92E+06 1.8 15130.01866. CC6H12+CH3O2<=>CC6H11-A+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.17E+05 2.0 1456.01867. CC6H12+CH3O2<=>CC6H11-B+CH3O2H 1.81E+03 2.5 7154.0 Reverse Arrhenius coefficients: 3.35E+05 1.9 10080.01868. CC6H12+CH3O2<=>DC6H11-C+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.44E+07 1.7 12110.01869. CC6H12+CH3O<=>CC6H11-A+CH3OH 4.34E+11 0.0 6458.0 Reverse Arrhenius coefficients: 9.58E+09 0.0 9018.01870. CC6H12+CH3O<=>CC6H11-B+CH3OH 1.00E+01 2.9 5231.0 Reverse Arrhenius coefficients: 1.66E+01 2.8 25750.01871. CC6H12+CH3O<=>DC6H11-C+CH3OH 9.00E+01 3.0 11990.0 Reverse Arrhenius coefficients: 1.21E+03 2.5 27790.01872. DC6H12+H<=>DC6H11-A+H2 1.33E+06 2.5 6756.0 Reverse Arrhenius coefficients: 6.18E+04 2.5 11040.01873. DC6H12+H<=>DC6H11-B+H2 6.02E+05 2.4 2583.0 Reverse Arrhenius coefficients: 2.36E+02 3.0 11350.01874. DC6H12+H<=>DC6H11-C+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 4.42E+06 2.1 20340.01875. DC6H12+OH<=>DC6H11-A+H2O 1.05E+10 1.0 1586.0 Reverse Arrhenius coefficients: 2.12E+09 1.0 21020.01876. DC6H12+OH<=>DC6H11-B+H2O 5.73E+10 0.5 63.0 Reverse Arrhenius coefficients: 9.75E+07 1.1 23990.01877. DC6H12+OH<=>DC6H11-C+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 1.57E+06 2.4 33370.01878. DC6H12+CH3<=>DC6H11-A+CH4 9.04E-01 3.6 7154.0 Reverse Arrhenius coefficients: 1.10E+00 3.6 11910.01879. DC6H12+CH3<=>DC6H11-B+CH4 6.01E-10 6.4 893.0 Reverse Arrhenius coefficients: 6.17E-12 6.9 10140.01880. DC6H12+CH3<=>DC6H11-C+CH4 3.69E+00 3.3 4002.0 Reverse Arrhenius coefficients: 1.26E+03 3.0 24610.01881. DC6H12+HO2<=>DC6H11-A+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.68E+04 2.2 4466.01882. DC6H12+HO2<=>DC6H11-B+H2O2 3.61E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.65E+01 2.8 2994.01883. DC6H12+HO2<=>DC6H11-C+H2O2 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.62E+06 2.0 14350.01884. DC6H12+CH3O2<=>DC6H11-A+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.18E+05 2.0 1446.01885. DC6H12+CH3O2<=>DC6H11-B+CH3O2H 3.61E+03 2.5 10530.0 Reverse Arrhenius coefficients: 7.59E+01 2.6 -26.01886. DC6H12+CH3O2<=>DC6H11-C+CH3O2H 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.38E+06 1.8 11330.01887. DC6H12+CH3O<=>DC6H11-A+CH3OH 4.34E+11 0.0 6458.0 Reverse Arrhenius coefficients: 9.72E+09 0.0 9008.01888. DC6H12+CH3O<=>DC6H11-B+CH3OH 2.29E+10 0.0 2873.0 Reverse Arrhenius coefficients: 4.34E+06 0.6 9913.01889. DC6H12+CH3O<=>DC6H11-C+CH3OH 4.00E+01 2.9 8609.0 Reverse Arrhenius coefficients: 2.52E+02 2.7 27010.01890. AC6H11-C+HO2<=>AC6H11O-C+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.77E+15 -0.9 15560.01891. AC6H11-C+CH3O2<=>AC6H11O-C+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.73E+17 -1.5 20330.01892. AC6H11-C+C2H5O2<=>AC6H11O-C+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.13E+14 -0.6 18170.01893. AC6H11-E<=>AC6H11-A2 4.17E+11 0.0 26400.0 Reverse Arrhenius coefficients: 3.67E+14 -0.6 39730.01894. CC6H11-B+HO2<=>CC6H11O-B+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 5.16E+15 -1.0 17070.01895. CC6H11-B+CH3O2<=>CC6H11O-B+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 5.04E+17 -1.6 21830.01896. CC6H11-B+C2H5O2<=>CC6H11O-B+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 3.30E+14 -0.7 19670.01897. DC6H11-C+HO2<=>DC6H11O-C+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 5.35E+14 -0.7 15410.01898. DC6H11-C+CH3O2<=>DC6H11O-C+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 5.23E+16 -1.3 20170.01899. DC6H11-C+C2H5O2<=>DC6H11O-C+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 3.42E+13 -0.4 18010.01900. AC6H11O-C<=>C2H5CHO+C3H5-T 3.24E+22 -2.6 30010.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.01901. CC6H11O-B<=>CH3COCH3+C3H5-S 7.18E+17 -1.2 28370.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.01902. DC6H11O-C<=>IC3H7CHO+C2H3 9.56E+16 -1.2 23360.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.01903. DC6H11O-C<=>C2H3CHO+IC3H7 2.42E+16 -0.8 8741.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.01904. AC6H11-A2<=>C3H4-A+NC3H7 1.28E+28 -4.4 72370.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.01905. AC6H11-C<=>IC5H8+CH3 7.17E+20 -2.5 52200.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.01906. AC6H11-D<=>C3H6+C3H5-T 1.33E+22 -2.9 53720.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.01907. AC6H11-E<=>C2H4+IC4H7 4.96E+23 -3.5 43590.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.01908. BC6H11-E<=>C2H4+IC4H7-I1 2.01E+17 -1.3 43260.0 Reverse Arrhenius coefficients: 2.00E+11 0.0 7800.01909. CC6H11-A<=>C5H81-3+CH3 2.46E+12 0.0 24210.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.0

SUPPLEMENTAL MATERIAL1910. DC6H11-A<=>C3H6+C3H5-A 1.23E+18 -1.5 17160.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.01911. DC6H11-B<=>IC4H8+C2H3 8.22E+12 -0.3 37270.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.01912. AC6H13O2<=>AC6H13+O2 1.61E+20 -1.6 35710.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.01913. BC6H13O2<=>BC6H13+O2 3.30E+24 -2.5 37300.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.01914. CC6H13O2<=>CC6H13+O2 7.40E+22 -2.3 37990.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.01915. DC6H13O2<=>DC6H13+O2 7.40E+22 -2.3 37990.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.01916. EC6H13O2<=>EC6H13+O2 3.20E+20 -1.6 35710.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.01917. AC6H13+AC6H13O2<=>AC6H13O+AC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.81E+13 -0.2 29790.01918. AC6H13+BC6H13O2<=>AC6H13O+BC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.30E+13 -0.2 30590.01919. AC6H13+CC6H13O2<=>AC6H13O+CC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.58E+13 -0.2 29500.01920. AC6H13+DC6H13O2<=>AC6H13O+DC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.58E+13 -0.2 29500.01921. AC6H13+EC6H13O2<=>AC6H13O+EC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.81E+13 -0.2 29790.01922. BC6H13+AC6H13O2<=>BC6H13O+AC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.51E+17 -1.1 32180.01923. BC6H13+BC6H13O2<=>BC6H13O+BC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.12E+16 -1.1 32980.01924. BC6H13+CC6H13O2<=>BC6H13O+CC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.42E+17 -1.1 31890.01925. BC6H13+DC6H13O2<=>BC6H13O+DC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.42E+17 -1.1 31890.01926. BC6H13+EC6H13O2<=>BC6H13O+EC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.51E+17 -1.1 32180.01927. CC6H13+AC6H13O2<=>CC6H13O+AC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.89E+15 -0.8 31780.01928. CC6H13+BC6H13O2<=>CC6H13O+BC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.96E+15 -0.8 32580.01929. CC6H13+CC6H13O2<=>CC6H13O+CC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.30E+15 -0.8 31480.01930. CC6H13+DC6H13O2<=>CC6H13O+DC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.30E+15 -0.8 31480.01931. CC6H13+EC6H13O2<=>CC6H13O+EC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.89E+15 -0.8 31780.01932. DC6H13+AC6H13O2<=>DC6H13O+AC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.89E+15 -0.8 31780.01933. DC6H13+BC6H13O2<=>DC6H13O+BC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.96E+15 -0.8 32580.01934. DC6H13+CC6H13O2<=>DC6H13O+CC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.30E+15 -0.8 31480.01935. DC6H13+DC6H13O2<=>DC6H13O+DC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.30E+15 -0.8 31480.01936. DC6H13+EC6H13O2<=>DC6H13O+EC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.89E+15 -0.8 31780.01937. EC6H13+AC6H13O2<=>EC6H13O+AC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.59E+13 -0.2 29790.01938. EC6H13+BC6H13O2<=>EC6H13O+BC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.58E+13 -0.2 30590.01939. EC6H13+CC6H13O2<=>EC6H13O+CC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.14E+13 -0.2 29500.01940. EC6H13+DC6H13O2<=>EC6H13O+DC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.14E+13 -0.2 29500.01941. EC6H13+EC6H13O2<=>EC6H13O+EC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.59E+13 -0.2 29790.01942. AC6H13+HO2<=>AC6H13O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.14E+15 -0.5 26090.01943. BC6H13+HO2<=>BC6H13O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.52E+18 -1.4 28480.01944. CC6H13+HO2<=>CC6H13O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.96E+17 -1.1 28070.01945. DC6H13+HO2<=>DC6H13O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.96E+17 -1.1 28070.01946. EC6H13+HO2<=>EC6H13O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.27E+15 -0.5 26090.01947. AC6H13+CH3O2<=>AC6H13O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.12E+13 -0.2 30330.01948. BC6H13+CH3O2<=>BC6H13O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.83E+17 -1.1 32720.01949. CC6H13+CH3O2<=>CC6H13O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.85E+16 -0.8 32310.01950. DC6H13+CH3O2<=>DC6H13O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.85E+16 -0.8 32310.01951. EC6H13+CH3O2<=>EC6H13O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.42E+14 -0.2 30330.01952. AC6H13O2<=>AC6H12OOH-A 3.75E+10 0.0 24400.0 Reverse Arrhenius coefficients: 2.19E+11 -0.6 9010.01953. AC6H13O2<=>AC6H12OOH-B 1.00E+11 0.0 24100.0 Reverse Arrhenius coefficients: 3.33E+09 0.0 13010.01954. AC6H13O2<=>AC6H12OOH-C 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 4.23E+09 -0.2 7910.01955. AC6H13O2<=>AC6H12OOH-D 3.12E+09 0.0 19050.0 Reverse Arrhenius coefficients: 5.28E+08 -0.2 6110.01956. AC6H13O2<=>AC6H12OOH-E 5.86E+08 0.0 25550.0 Reverse Arrhenius coefficients: 3.42E+09 -0.6 10160.01957. BC6H13O2<=>BC6H12OOH-A 6.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 1.34E+12 -0.5 13930.01958. BC6H13O2<=>BC6H12OOH-C 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 1.91E+10 -0.1 13890.01959. BC6H13O2<=>BC6H12OOH-D 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 2.39E+09 -0.1 7890.01960. BC6H13O2<=>BC6H12OOH-E 4.69E+09 0.0 22350.0 Reverse Arrhenius coefficients: 1.04E+10 -0.5 6880.01961. CC6H13O2<=>CC6H12OOH-A 7.50E+10 0.0 24400.0 Reverse Arrhenius coefficients: 3.46E+11 -0.6 9040.01962. CC6H13O2<=>CC6H12OOH-B 1.00E+11 0.0 24100.0 Reverse Arrhenius coefficients: 1.06E+10 -0.1 13050.01963. CC6H13O2<=>CC6H12OOH-D 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.83E+10 -0.1 13900.01964. CC6H13O2<=>CC6H12OOH-E 3.75E+10 0.0 24400.0 Reverse Arrhenius coefficients: 2.60E+11 -0.6 9040.01965. DC6H13O2<=>DC6H12OOH-A 9.38E+09 0.0 22350.0 Reverse Arrhenius coefficients: 4.32E+10 -0.6 6990.01966. DC6H13O2<=>DC6H12OOH-B 1.25E+10 0.0 19100.0 Reverse Arrhenius coefficients: 1.33E+09 -0.1 8050.01967. DC6H13O2<=>DC6H12OOH-C 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.83E+10 -0.1 13900.01968. DC6H13O2<=>DC6H12OOH-E 3.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 2.08E+12 -0.6 14040.01969. EC6H13O2<=>EC6H12OOH-A 1.17E+09 0.0 25550.0 Reverse Arrhenius coefficients: 4.55E+09 -0.6 10160.01970. EC6H13O2<=>EC6H12OOH-B 1.56E+09 0.0 17050.0 Reverse Arrhenius coefficients: 3.12E+08 0.0 5960.01971. EC6H13O2<=>EC6H12OOH-C 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 1.27E+10 -0.2 7910.01972. EC6H13O2<=>EC6H12OOH-D 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 1.01E+11 -0.2 13910.01973. AC6H13O2<=>AC6H12+HO2 4.53E+35 -7.2 39490.0 Reverse Arrhenius coefficients: 1.26E+27 -5.4 20690.01974. BC6H13O2<=>AC6H12+HO2 1.01E+43 -9.4 41490.0 Reverse Arrhenius coefficients: 2.32E+32 -7.2 16600.01975. BC6H13O2<=>BC6H12+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 5.63E+27 -5.7 18470.01976. CC6H13O2<=>BC6H12+HO2 4.53E+35 -7.2 39490.0 Reverse Arrhenius coefficients: 3.29E+25 -4.9 18770.01977. CC6H13O2<=>CC6H12+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 7.85E+28 -5.8 18350.01978. DC6H13O2<=>CC6H12+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 7.85E+28 -5.8 18350.01979. DC6H13O2<=>DC6H12+HO2 5.07E+42 -9.4 41490.0 Reverse Arrhenius coefficients: 1.68E+33 -7.3 16750.01980. EC6H13O2<=>DC6H12+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 1.57E+30 -6.3 20540.01981. AC6H13O2+HO2<=>AC6H13O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.83E+13 -0.8 33610.01982. BC6H13O2+HO2<=>BC6H13O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.50E+13 -0.8 33600.01983. CC6H13O2+HO2<=>CC6H13O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.43E+13 -0.8 33640.01984. DC6H13O2+HO2<=>DC6H13O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.43E+13 -0.8 33640.01985. EC6H13O2+HO2<=>EC6H13O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.83E+13 -0.8 33610.01986. AC6H13O2+H2O2<=>AC6H13O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01987. BC6H13O2+H2O2<=>BC6H13O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01988. CC6H13O2+H2O2<=>CC6H13O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01989. DC6H13O2+H2O2<=>DC6H13O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01990. EC6H13O2+H2O2<=>EC6H13O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.01991. AC6H13O2+CH3O2<=>AC6H13O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1992. BC6H13O2+CH3O2<=>BC6H13O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1993. CC6H13O2+CH3O2<=>CC6H13O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1994. DC6H13O2+CH3O2<=>DC6H13O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1995. EC6H13O2+CH3O2<=>EC6H13O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1996. AC6H13O2+AC6H13O2<=>O2+AC6H13O+AC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1997. AC6H13O2+BC6H13O2<=>O2+AC6H13O+BC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1998. AC6H13O2+CC6H13O2<=>O2+AC6H13O+CC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible1999. AC6H13O2+DC6H13O2<=>O2+AC6H13O+DC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2000. AC6H13O2+EC6H13O2<=>O2+AC6H13O+EC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2001. BC6H13O2+BC6H13O2<=>O2+BC6H13O+BC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2002. BC6H13O2+CC6H13O2<=>O2+BC6H13O+CC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2003. BC6H13O2+DC6H13O2<=>O2+BC6H13O+DC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2004. BC6H13O2+EC6H13O2<=>O2+BC6H13O+EC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2005. CC6H13O2+CC6H13O2<=>O2+CC6H13O+CC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2006. CC6H13O2+DC6H13O2<=>O2+CC6H13O+DC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2007. CC6H13O2+EC6H13O2<=>O2+CC6H13O+EC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible

SUPPLEMENTAL MATERIAL2008. DC6H13O2+DC6H13O2<=>O2+DC6H13O+DC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2009. DC6H13O2+EC6H13O2<=>O2+DC6H13O+EC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2010. EC6H13O2+EC6H13O2<=>O2+EC6H13O+EC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2011. AC6H13O2H<=>AC6H13O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 2.09E+07 1.9 -6512.02012. BC6H13O2H<=>BC6H13O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.38E+07 1.9 -5702.02013. CC6H13O2H<=>CC6H13O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.70E+07 1.9 -6832.02014. DC6H13O2H<=>DC6H13O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.70E+07 1.9 -6832.02015. EC6H13O2H<=>EC6H13O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 2.09E+07 1.9 -6512.02016. AC6H13O<=>CH2O+C5H11-2 3.17E+17 -1.2 22520.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02017. BC6H13O<=>NC3H7+CH3COCH3 1.59E+24 -3.0 17900.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02018. CC6H13O<=>C2H5CHO+IC3H7 3.30E+19 -1.6 18240.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02019. CC6H13O<=>C2H5+IC3H7CHO 2.17E+22 -2.6 21330.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02020. DC6H13O<=>CH3CHO+IC4H9 1.54E+22 -2.6 19720.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02021. EC6H13O<=>CH2O+DC5H11 5.86E+20 -2.2 25080.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02022. AC6H12OOH-B<=>A-BC6H12O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2023. AC6H12OOH-A<=>A-AC6H12O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2024. AC6H12OOH-C<=>A-CC6H12O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2025. AC6H12OOH-D<=>A-DC6H12O+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2026. AC6H12OOH-E<=>A-EC6H12O+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2027. BC6H12OOH-A<=>A-BC6H12O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2028. BC6H12OOH-C<=>B-CC6H12O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2029. BC6H12OOH-D<=>B-DC6H12O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2030. BC6H12OOH-E<=>B-EC6H12O+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2031. CC6H12OOH-B<=>B-CC6H12O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2032. CC6H12OOH-D<=>C-DC6H12O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2033. CC6H12OOH-A<=>A-CC6H12O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2034. CC6H12OOH-E<=>C-EC6H12O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2035. DC6H12OOH-C<=>C-DC6H12O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2036. DC6H12OOH-E<=>D-EC6H12O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2037. DC6H12OOH-B<=>B-DC6H12O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2038. DC6H12OOH-A<=>A-DC6H12O+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2039. EC6H12OOH-D<=>D-EC6H12O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2040. EC6H12OOH-C<=>C-EC6H12O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2041. EC6H12OOH-B<=>B-EC6H12O+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2042. EC6H12OOH-A<=>A-EC6H12O+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2043. AC6H12OOH-B<=>AC6H12+HO2 3.53E+18 -1.9 19760.0 Reverse Arrhenius coefficients: 2.94E+11 0.0 12050.02044. BC6H12OOH-A<=>AC6H12+HO2 2.87E+22 -2.7 21460.0 Reverse Arrhenius coefficients: 2.94E+11 0.0 12050.02045. BC6H12OOH-C<=>BC6H12+HO2 1.48E+21 -2.5 19140.0 Reverse Arrhenius coefficients: 1.73E+11 0.0 10090.02046. CC6H12OOH-B<=>BC6H12+HO2 2.54E+20 -2.4 19760.0 Reverse Arrhenius coefficients: 1.73E+11 0.0 10090.02047. CC6H12OOH-D<=>CC6H12+HO2 2.39E+20 -2.4 20730.0 Reverse Arrhenius coefficients: 2.62E+11 0.0 11540.02048. DC6H12OOH-C<=>CC6H12+HO2 2.39E+20 -2.4 20730.0 Reverse Arrhenius coefficients: 2.62E+11 0.0 11540.02049. DC6H12OOH-E<=>DC6H12+HO2 9.52E+21 -2.7 22840.0 Reverse Arrhenius coefficients: 4.56E+11 0.0 13460.02050. EC6H12OOH-D<=>DC6H12+HO2 7.44E+19 -2.0 20460.0 Reverse Arrhenius coefficients: 4.56E+11 0.0 13460.02051. AC6H12OOH-A<=>OH+CH2O+C5H10-1 4.30E+15 -0.6 29390.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2052. AC6H12OOH-C<=>OH+CH2O+C5H10-2 5.33E+14 -0.5 29220.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2053. AC6H12OOH-D<=>HO2+C3H6+C3H6 3.24E+17 -1.4 27480.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2054. BC6H12OOH-D<=>OH+CH3COCH3+C3H6 4.44E+19 -1.9 26850.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2055. CC6H12OOH-A<=>OH+C2H5CHO+C3H6 1.01E+20 -1.9 28800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2056. CC6H12OOH-E<=>OH+IC3H7CHO+C2H4 1.52E+18 -1.5 27560.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2057. DC6H12OOH-B<=>OH+CH3CHO+IC4H8 2.62E+16 -0.8 27160.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2058. AC6H12OOH-AO2<=>AC6H12OOH-A+O2 2.64E+20 -1.6 35640.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02059. AC6H12OOH-BO2<=>AC6H12OOH-B+O2 7.48E+24 -2.5 37410.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.02060. AC6H12OOH-CO2<=>AC6H12OOH-C+O2 5.21E+22 -2.2 37940.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.02061. AC6H12OOH-DO2<=>AC6H12OOH-D+O2 5.21E+22 -2.2 37940.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.02062. AC6H12OOH-EO2<=>AC6H12OOH-E+O2 1.32E+20 -1.6 35640.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02063. BC6H12OOH-AO2<=>BC6H12OOH-A+O2 2.95E+20 -1.6 35700.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02064. BC6H12OOH-CO2<=>BC6H12OOH-C+O2 1.12E+23 -2.3 37940.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.02065. BC6H12OOH-DO2<=>BC6H12OOH-D+O2 1.12E+23 -2.3 37940.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.02066. BC6H12OOH-EO2<=>BC6H12OOH-E+O2 2.95E+20 -1.6 35700.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02067. CC6H12OOH-AO2<=>CC6H12OOH-A+O2 6.16E+19 -1.5 35570.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02068. CC6H12OOH-DO2<=>CC6H12OOH-D+O2 4.60E+22 -2.2 37910.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.02069. CC6H12OOH-EO2<=>CC6H12OOH-E+O2 8.16E+19 -1.5 35570.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02070. CC6H12OOH-BO2<=>CC6H12OOH-B+O2 1.23E+24 -2.4 37330.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.02071. DC6H12OOH-AO2<=>DC6H12OOH-A+O2 6.16E+19 -1.5 35570.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02072. DC6H12OOH-CO2<=>DC6H12OOH-C+O2 4.60E+22 -2.2 37910.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.02073. DC6H12OOH-EO2<=>DC6H12OOH-E+O2 8.16E+19 -1.5 35570.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02074. DC6H12OOH-BO2<=>DC6H12OOH-B+O2 1.23E+24 -2.4 37330.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.02075. EC6H12OOH-AO2<=>EC6H12OOH-A+O2 9.98E+19 -1.6 35640.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02076. EC6H12OOH-CO2<=>EC6H12OOH-C+O2 1.74E+22 -2.2 37940.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.02077. EC6H12OOH-DO2<=>EC6H12OOH-D+O2 1.74E+22 -2.2 37940.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.02078. EC6H12OOH-BO2<=>EC6H12OOH-B+O2 6.26E+23 -2.5 37410.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.02079. AC6H12OOH-AO2<=>IC6KETAA+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 1.06E+03 1.4 44430.02080. AC6H12OOH-BO2<=>IC6KETAB+OH 2.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 4.34E+04 1.3 48720.02081. AC6H12OOH-CO2<=>IC6KETAC+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 3.17E+03 1.4 44470.02082. AC6H12OOH-DO2<=>IC6KETAD+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 3.96E+02 1.4 42420.02083. AC6H12OOH-EO2<=>IC6KETAE+OH 3.91E+08 0.0 22550.0 Reverse Arrhenius coefficients: 3.31E+01 1.4 45580.02084. CC6H12OOH-AO2<=>IC6KETCA+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 1.07E+02 1.8 43880.02085. CC6H12OOH-BO2<=>IC6KETCB+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 3.40E+03 1.7 49190.02086. CC6H12OOH-DO2<=>IC6KETCD+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 2.55E+03 1.6 49090.02087. CC6H12OOH-EO2<=>IC6KETCE+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 1.07E+02 1.8 43880.02088. DC6H12OOH-AO2<=>IC6KETDA+OH 1.56E+09 0.0 16050.0 Reverse Arrhenius coefficients: 1.06E+01 1.9 42100.02089. DC6H12OOH-BO2<=>IC6KETDB+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 6.18E+01 1.9 43910.02090. DC6H12OOH-CO2<=>IC6KETDC+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 1.66E+03 1.7 49080.02091. DC6H12OOH-EO2<=>IC6KETDE+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 3.12E+02 1.9 50030.02092. EC6H12OOH-AO2<=>IC6KETEA+OH 3.91E+08 0.0 22550.0 Reverse Arrhenius coefficients: 1.97E+01 1.5 45870.02093. EC6H12OOH-BO2<=>IC6KETEB+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 1.62E+02 1.5 42680.02094. EC6H12OOH-CO2<=>IC6KETEC+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 1.19E+03 1.5 44720.02095. EC6H12OOH-DO2<=>IC6KETED+OH 2.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 3.09E+01 0.8 48490.02096. IC6KETAA<=>CH2O+C4H8CHO-4+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2097. IC6KETAB<=>NC3H7COCH3+HCO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible

SUPPLEMENTAL MATERIAL2098. IC6KETAC<=>C2H5CHO+CH3CHCHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2099. IC6KETAD<=>CH3CHO+IC3H6CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2100. IC6KETAE<=>CH2O+C4H8CHO4-2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2101. IC6KETCA<=>CH2O+C2H5COC2H4S+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2102. IC6KETCB<=>CH3COCH3+C2H5CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2103. IC6KETCD<=>CH3CHO+IC3H7CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2104. IC6KETCE<=>CH2O+IC3H7COCH2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2105. IC6KETDA<=>CH2O+C3H6COCH3-2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2106. IC6KETDB<=>CH3COCH3+CH3COCH2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2107. IC6KETDC<=>IC3H7CHO+CH3CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2108. IC6KETDE<=>CH2O+IC4H9CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2109. IC6KETEA<=>CH2O+C4H8CHO-2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2110. IC6KETEB<=>CH3COCH3+CH2CH2CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2111. IC6KETEC<=>IC3H7CHO+CH2CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2112. IC6KETED<=>IC4H9CHO+HCO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2113. A-AC6H12O+OH<=>C5H10CHO1-2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2114. A-BC6H12O+OH<=>C5H10CHO2-2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2115. A-CC6H12O+OH<=>C5H10CHO3-2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2116. A-DC6H12O+OH<=>C5H10CHO4-2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2117. A-EC6H12O+OH<=>C5H10CHO5-2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2118. B-CC6H12O+OH<=>IC3H5CHO+C2H5+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2119. B-DC6H12O+OH<=>IC4H7+CH3CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2120. B-EC6H12O+OH<=>AC5H9-C+CH2O+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2121. C-DC6H12O+OH<=>IC3H7COC2H4S+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2122. C-EC6H12O+OH<=>CC5H10CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2123. D-EC6H12O+OH<=>DC5H10CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2124. A-AC6H12O+OH<=>C5H91-2+CH2O+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2125. A-BC6H12O+OH<=>C5H91-2+CH2O+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2126. A-CC6H12O+OH<=>IC3H6COC2H5+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2127. A-DC6H12O+OH<=>IC3H6CH2COCH3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2128. A-EC6H12O+OH<=>AC5H10CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2129. B-CC6H12O+OH<=>TC3H6COC2H5+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2130. B-DC6H12O+OH<=>TC3H6CH2COCH3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2131. B-EC6H12O+OH<=>BC5H10CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2132. C-DC6H12O+OH<=>IC3H7CHCOCH3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2133. C-EC6H12O+OH<=>IC3H7COC2H4P+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2134. D-EC6H12O+OH<=>IC4H9COCH2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2135. A-AC6H12O+HO2<=>C5H10CHO1-2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2136. A-BC6H12O+HO2<=>C5H10CHO2-2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2137. A-CC6H12O+HO2<=>C5H10CHO3-2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2138. A-DC6H12O+HO2<=>C5H10CHO4-2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2139. A-EC6H12O+HO2<=>C5H10CHO5-2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2140. B-CC6H12O+HO2<=>IC3H5CHO+C2H5+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2141. B-DC6H12O+HO2<=>IC4H7+CH3CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2142. B-EC6H12O+HO2<=>AC5H9-C+CH2O+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2143. C-DC6H12O+HO2<=>IC3H7COC2H4S+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2144. C-EC6H12O+HO2<=>CC5H10CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2145. D-EC6H12O+HO2<=>DC5H10CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2146. A-AC6H12O+HO2<=>C5H91-2+CH2O+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2147. A-BC6H12O+HO2<=>C5H91-2+CH2O+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2148. A-CC6H12O+HO2<=>IC3H6COC2H5+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2149. A-DC6H12O+HO2<=>IC3H6CH2COCH3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2150. A-EC6H12O+HO2<=>AC5H10CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2151. B-CC6H12O+HO2<=>TC3H6COC2H5+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2152. B-DC6H12O+HO2<=>TC3H6CH2COCH3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2153. B-EC6H12O+HO2<=>BC5H10CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2154. C-DC6H12O+HO2<=>IC3H7CHCOCH3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2155. C-EC6H12O+HO2<=>IC3H7COC2H4P+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2156. D-EC6H12O+HO2<=>IC4H9COCH2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2157. AC6H12OH<=>AC6H12+OH 1.78E+14 -0.3 28270.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.02158. AO2C6H12OH<=>AC6H12OH+O2 1.16E+22 -2.2 37130.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.02159. AO2C6H12OH<=>NC3H7COCH3+CH2O+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2160. BC6H12OH<=>BC6H12+OH 8.40E+15 -0.8 29850.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.02161. BO2C6H12OH<=>BC6H12OH+O2 1.23E+22 -2.2 37140.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.02162. BO2C6H12OH<=>CH3COCH3+C2H5CHO+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2163. CC6H12OH<=>CC6H12+OH 1.15E+16 -1.0 29470.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.02164. CO2C6H12OH<=>CC6H12OH+O2 2.56E+21 -2.0 37760.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.02165. CO2C6H12OH<=>IC3H7CHO+CH3CHO+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2166. DC6H12OH<=>DC6H12+OH 5.70E+14 -0.5 27610.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.02167. DO2C6H12OH<=>DC6H12OH+O2 1.72E+21 -1.9 37750.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.02168. DO2C6H12OH<=>IC4H9CHO+CH2O+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2169. NC4H9CHO-2+OH<=>NC4H9CO-2+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.19E+12 0.0 30930.02170. NC4H9CHO-2+OH<=>C4H8CHO1-2+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 6.47E+05 2.0 19140.02171. NC4H9CHO-2+OH<=>C4H8CHO2-2+H2O 1.68E+12 0.0 -781.0 Reverse Arrhenius coefficients: 1.21E+13 -0.2 29930.02172. NC4H9CHO-2+OH<=>C4H8CHO3-2+H2O 2.90E+09 1.0 258.0 Reverse Arrhenius coefficients: 2.87E+07 1.4 22150.0

SUPPLEMENTAL MATERIAL2173. NC4H9CHO-2+OH<=>C4H8CHO4-2+H2O 3.16E+07 1.8 934.0 Reverse Arrhenius coefficients: 6.55E+06 1.8 20370.02174. NC4H9CHO-2+HO2<=>NC4H9CO-2+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 3.86E+12 -0.3 12000.02175. NC4H9CHO-2+HO2<=>C4H8CHO1-2+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.93E+04 2.2 4471.02176. NC4H9CHO-2+HO2<=>C4H8CHO2-2+H2O2 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 3.42E+12 -0.5 11170.02177. NC4H9CHO-2+HO2<=>C4H8CHO3-2+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 5.66E+02 2.6 4342.02178. NC4H9CHO-2+HO2<=>C4H8CHO4-2+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.93E+04 2.2 4471.02179. NC4H9CHO-2+CH3O2<=>NC4H9CO-2+CH3O2H 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.59E+13 -0.5 11280.02180. NC4H9CHO-2+CH3O2<=>C4H8CHO1-2+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.20E+05 2.0 3751.02181. NC4H9CHO-2+CH3O2<=>C4H8CHO2-2+CH3O2H 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 1.41E+13 -0.7 10450.02182. NC4H9CHO-2+CH3O2<=>C4H8CHO3-2+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 2.33E+03 2.5 3622.02183. NC4H9CHO-2+CH3O2<=>C4H8CHO4-2+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.20E+05 2.0 3751.02184. NC4H9CO-2<=>SC4H9+CO 1.53E+13 -0.1 10650.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.02185. C4H8CHO1-2<=>C2H3CHO+C2H5 8.94E+16 -1.2 26200.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02186. C4H8CHO1-2<=>C4H8-1+HCO 4.04E+16 -1.2 26670.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02187. C4H8CHO2-2<=>IC3H5CHO+CH3 2.03E+14 -0.5 34550.0 Reverse Arrhenius coefficients: 1.23E+11 0.0 10600.02188. C4H8CHO3-2<=>C4H8-2+HCO 2.80E+15 -1.1 21570.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 6000.02189. C4H8CHO4-2<=>CH3CHCHO+C2H4 4.39E+16 -1.5 26490.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 11300.02190. IC4H9CHO+OH<=>IC4H9CO+H2O 2.69E+10 0.8 -340.0 Reverse Arrhenius coefficients: 1.62E+10 0.8 31180.02191. IC4H9CHO+OH<=>TC3H6CH2CHO+H2O 2.70E+09 1.0 -149.0 Reverse Arrhenius coefficients: 1.04E+07 1.6 23790.02192. IC4H9CHO+OH<=>IC3H6CH2CHO+H2O 3.16E+07 1.8 934.0 Reverse Arrhenius coefficients: 5.17E+06 1.8 20330.02193. IC4H9CHO+OH<=>IC3H7CHCHO+H2O 2.90E+09 1.0 258.0 Reverse Arrhenius coefficients: 7.23E+10 0.7 29150.02194. IC4H9CHO+HO2<=>IC4H9CO+H2O2 3.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.08E+13 -0.3 11990.02195. IC4H9CHO+HO2<=>TC3H6CH2CHO+H2O2 3.61E+03 2.5 10530.0 Reverse Arrhenius coefficients: 8.28E+01 2.8 3004.02196. IC4H9CHO+HO2<=>IC3H6CH2CHO+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 4.63E+04 2.2 4430.02197. IC4H9CHO+HO2<=>IC3H7CHCHO+H2O2 9.64E+03 2.6 11510.0 Reverse Arrhenius coefficients: 1.43E+06 2.0 8942.02198. IC4H9CHO+CH3O2<=>IC4H9CO+CH3O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 4.12E+13 -0.5 12940.02199. IC4H9CHO+CH3O2<=>TC3H6CH2CHO+CH3O2H 3.61E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.40E+02 2.6 2284.02200. IC4H9CHO+CH3O2<=>IC3H6CH2CHO+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.90E+05 2.1 3710.02201. IC4H9CHO+CH3O2<=>IC3H7CHCHO+CH3O2H 9.64E+03 2.6 11510.0 Reverse Arrhenius coefficients: 5.86E+06 1.8 8222.02202. IC4H9CO<=>IC4H9+CO 4.42E+16 -1.0 13350.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.02203. IC4H9CO<=>IC3H7+CH2CO 6.78E+12 0.2 36340.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.02204. TC3H6CH2CHO<=>IC4H8+HCO 1.39E+14 -0.6 23240.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 6000.02205. IC3H6CH2CHO<=>C3H6+CH2CHO 1.57E+16 -1.1 25870.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 10600.02206. IC3H6CH2CHO<=>AC3H5CHO+CH3 1.92E+15 -0.7 32870.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 10600.02207. IC3H7CHCHO<=>SC3H5CHO+CH3 4.40E+15 -0.6 32150.0 Reverse Arrhenius coefficients: 1.23E+11 0.0 10600.02208. IC5H11CHO+OH<=>IC5H11CO+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.17E+12 0.0 30920.02209. IC5H11CHO+OH<=>AC5H10CHO+H2O 1.53E+08 1.5 8775.0 Reverse Arrhenius coefficients: 3.03E+07 1.5 28200.02210. IC5H11CHO+OH<=>BC5H10CHO+H2O 1.68E+12 0.0 -781.0 Reverse Arrhenius coefficients: 5.63E+09 0.6 23130.02211. IC5H11CHO+OH<=>CC5H10CHO+H2O 3.62E+07 1.6 -247.0 Reverse Arrhenius coefficients: 4.28E+05 2.0 21670.02212. IC5H11CHO+OH<=>DC5H10CHO+H2O 2.90E+09 1.0 258.0 Reverse Arrhenius coefficients: 7.66E+10 0.7 29160.02213. IC5H11CHO+HO2<=>IC5H11CO+H2O2 3.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.14E+13 -0.3 12000.02214. IC5H11CHO+HO2<=>AC5H10CHO+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.60E+04 2.2 4456.02215. IC5H11CHO+HO2<=>BC5H10CHO+H2O2 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 1.59E+09 0.2 4372.02216. IC5H11CHO+HO2<=>CC5H10CHO+H2O2 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 3.93E+11 0.0 8152.02217. IC5H11CHO+HO2<=>DC5H10CHO+H2O2 9.64E+03 2.6 11510.0 Reverse Arrhenius coefficients: 1.51E+06 2.0 8952.02218. IC5H11CHO+CH3O2<=>IC5H11CO+CH3O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 4.39E+13 -0.5 12950.02219. IC5H11CHO+CH3O2<=>AC5H10CHO+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.30E+05 2.0 3736.02220. IC5H11CHO+CH3O2<=>BC5H10CHO+CH3O2H 3.61E+03 2.5 10530.0 Reverse Arrhenius coefficients: 2.95E+02 2.6 2264.02221. IC5H11CHO+CH3O2<=>CC5H10CHO+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 2.78E+03 2.5 3642.02222. IC5H11CHO+CH3O2<=>DC5H10CHO+CH3O2H 9.64E+03 2.6 11510.0 Reverse Arrhenius coefficients: 6.21E+06 1.8 8232.02223. IC5H11CO<=>DC5H11+CO 3.42E+16 -1.0 13530.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.02224. IC5H11CO<=>IC4H9+CH2CO 3.03E+16 -0.9 38490.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.02225. AC5H10CHO<=>C3H6+CH2CH2CHO 2.05E+19 -1.6 31560.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 9600.02226. BC5H10CHO<=>IC4H8+CH2CHO 5.41E+15 -1.1 27480.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02227. CC5H10CHO<=>CC5H10+HCO 3.08E+14 -0.7 26330.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.02228. CC5H10CHO<=>C4H7CHO2-1+CH3 3.34E+14 -0.6 32520.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02229. DC5H10CHO<=>IC3H7+C2H3CHO 1.22E+16 -0.5 33260.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02230. C4H7CHO2-1+OH<=>C4H7CO2-1+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.19E+12 0.0 30930.02231. C4H7CHO2-1+OH<=>C4H6CHO2-11+H2O 2.08E+06 2.0 -298.0 Reverse Arrhenius coefficients: 7.59E+07 1.8 34910.02232. C4H7CHO2-1+OH<=>C4H6CHO1-43+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 1.54E+08 1.7 33100.02233. C4H7CHO2-1+OH<=>C2H5CHO+CH2CHO 1.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 3.06E+09 0.5 24280.02234. C4H7CHO2-1+HO2<=>C4H7CO2-1+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 3.86E+12 -0.3 12000.02235. C4H7CHO2-1+HO2<=>C4H6CHO1-43+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 2.82E+06 1.9 15850.02236. C4H7CHO2-1+HO2<=>C4H6CHO2-11+H2O2 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 3.20E+06 2.1 17660.02237. C4H7CHO2-1+CH3O2<=>C4H7CO2-1+CH3O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 4.44E+13 -0.5 12960.02238. C4H7CHO2-1+CH3O2<=>C4H6CHO1-43+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 2.40E+15 -0.8 18270.02239. C4H7CHO2-1+CH3O2<=>C4H6CHO2-11+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 1.77E+15 -0.7 20080.02240. C4H7CO2-1<=>C4H71-3+CO 2.94E+09 0.5 1710.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.02241. C4H6CHO2-11+HO2<=>SC3H5CHO+HCO+OH 8.91E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2242. NC5H11CHO-2+OH<=>NC5H11CO-2+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.19E+12 0.0 30930.02243. NC5H11CHO-2+OH<=>C5H10CHO1-2+H2O 6.24E+06 2.0 -298.0 Reverse Arrhenius coefficients: 1.36E+06 2.0 19150.02244. NC5H11CHO-2+OH<=>C5H10CHO2-2+H2O 1.68E+12 0.0 -781.0 Reverse Arrhenius coefficients: 1.20E+13 -0.2 29920.02245. NC5H11CHO-2+OH<=>C5H10CHO3-2+H2O 9.34E+07 1.6 -35.0 Reverse Arrhenius coefficients: 9.44E+05 2.0 21860.02246. NC5H11CHO-2+OH<=>C5H10CHO4-2+H2O 9.34E+07 1.6 -35.0 Reverse Arrhenius coefficients: 9.44E+05 2.0 21860.02247. NC5H11CHO-2+OH<=>C5H10CHO5-2+H2O 6.24E+06 2.0 -298.0 Reverse Arrhenius coefficients: 1.36E+06 2.0 19150.02248. NC5H11CHO-2+HO2<=>NC5H11CO-2+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 3.86E+12 -0.3 12000.02249. NC5H11CHO-2+HO2<=>C5H10CHO1-2+H2O2 5.52E+04 2.5 16480.0 Reverse Arrhenius coefficients: 7.16E+04 2.2 4462.02250. NC5H11CHO-2+HO2<=>C5H10CHO2-2+H2O2 1.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 4.25E+11 -0.5 11160.02251. NC5H11CHO-2+HO2<=>C5H10CHO3-2+H2O2 2.95E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.77E+03 2.6 4342.02252. NC5H11CHO-2+HO2<=>C5H10CHO4-2+H2O2 2.95E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.77E+03 2.6 4342.02253. NC5H11CHO-2+HO2<=>C5H10CHO5-2+H2O2 5.52E+04 2.5 16480.0 Reverse Arrhenius coefficients: 7.16E+04 2.2 4462.02254. NC5H11CHO-2+CH3O2<=>NC5H11CO-2+CH3O2H 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.59E+13 -0.5 11280.02255. NC5H11CHO-2+CH3O2<=>C5H10CHO1-2+CH3O2H 6.03E+12 0.0 19380.0 Reverse Arrhenius coefficients: 3.21E+13 -0.5 6637.02256. NC5H11CHO-2+CH3O2<=>C5H10CHO2-2+CH3O2H 1.00E+10 0.0 11910.0 Reverse Arrhenius coefficients: 1.75E+12 -0.7 10430.02257. NC5H11CHO-2+CH3O2<=>C5H10CHO3-2+CH3O2H 3.98E+12 0.0 17050.0 Reverse Arrhenius coefficients: 9.81E+11 -0.1 6764.02258. NC5H11CHO-2+CH3O2<=>C5H10CHO4-2+CH3O2H 3.98E+12 0.0 17050.0 Reverse Arrhenius coefficients: 9.81E+11 -0.1 6764.02259. NC5H11CHO-2+CH3O2<=>C5H10CHO5-2+CH3O2H 6.03E+12 0.0 19380.0 Reverse Arrhenius coefficients: 3.21E+13 -0.5 6637.02260. NC5H11CO-2<=>NC3H7+CH3CHCO 3.37E+18 -1.5 39750.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02261. C5H10CHO1-2<=>C5H10-1+HCO 3.45E+15 -0.8 26680.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02262. C5H10CHO2-2<=>IC3H5CHO+C2H5 1.19E+18 -1.4 33170.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.02263. C5H10CHO3-2<=>C5H10-2+HCO 4.59E+15 -1.0 26270.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02264. C5H10CHO4-2<=>C3H6+CH3CHCHO 6.15E+15 -1.1 23010.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.02265. C5H10CHO5-2<=>C2H4+IC3H6CHO 1.55E+18 -1.6 30430.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 7800.02266. IC4H9COCH3+OH<=>IC4H9COCH2+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 6.76E+13 -0.7 27670.02267. IC4H9COCH3+OH<=>IC3H6CH2COCH3+H2O 1.51E+10 1.0 1586.0 Reverse Arrhenius coefficients: 2.78E+09 1.0 21000.02268. IC4H9COCH3+OH<=>IC3H7CHCOCH3+H2O 8.45E+11 0.0 -228.0 Reverse Arrhenius coefficients: 1.70E+13 -0.2 28640.02269. IC4H9COCH3+OH<=>TC3H6CH2COCH3+H2O 5.73E+10 0.5 63.0 Reverse Arrhenius coefficients: 1.78E+08 1.1 23970.02270. IC4H9COCH3+HO2<=>IC4H9COCH2+H2O2 2.38E+04 2.5 14690.0 Reverse Arrhenius coefficients: 1.87E+07 1.5 9702.02271. IC4H9COCH3+HO2<=>IC3H6CH2COCH3+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.20E+04 2.2 4442.02272. IC4H9COCH3+HO2<=>IC3H7CHCOCH3+H2O2 2.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 2.39E+13 -0.6 6100.02273. IC4H9COCH3+HO2<=>TC3H6CH2COCH3+H2O2 2.80E+12 0.0 16000.0 Reverse Arrhenius coefficients: 5.16E+10 0.3 8442.02274. IC4H9COCH3+CH3O2<=>IC4H9COCH2+CH3O2H 3.01E+12 0.0 17580.0 Reverse Arrhenius coefficients: 9.74E+15 -1.2 11870.02275. IC4H9COCH3+CH3O2<=>IC3H6CH2COCH3+CH3O2H 6.02E+12 0.0 19380.0 Reverse Arrhenius coefficients: 2.70E+13 -0.5 6612.02276. IC4H9COCH3+CH3O2<=>IC3H7CHCOCH3+CH3O2H 2.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 9.83E+14 -0.7 11930.02277. IC4H9COCH3+CH3O2<=>TC3H6CH2COCH3+CH3O2H 3.61E+03 2.5 10530.0 Reverse Arrhenius coefficients: 2.73E+02 2.6 2254.02278. IC4H9COCH2<=>IC4H9+CH2CO 8.29E+18 -1.5 44360.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12600.0

SUPPLEMENTAL MATERIAL2279. IC3H6CH2COCH3<=>C3H6+CH3COCH2 3.61E+17 -1.2 30350.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12600.02280. IC3H7CHCOCH3<=>IC3H5COCH3+CH3 2.90E+16 -0.9 34510.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02281. TC3H6CH2COCH3<=>IC4H8+CH3CO 6.15E+17 -1.4 31780.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12600.02282. C5H10-1+OH<=>PC4H9+CH2O 2.00E+10 0.0 -4000.0 Reverse Arrhenius coefficients: 3.00E+11 0.0 20400.02283. C5H10-2+OH<=>C2H5+C2H5CHO 1.00E+10 0.0 -4000.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 20000.02284. C5H10-2+OH<=>NC3H7+CH3CHO 2.00E+10 0.0 -4000.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 20000.02285. C5H10-2+O<=>C3H6+CH3CHO 1.00E+10 0.0 0.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 81000.02286. C5H10-1+O<=>PC4H9+HCO 1.00E+11 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2287. C5H10-1+O<=>NC3H7+CH3CO 1.00E+11 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2288. NC4H9CHO+HO2<=>C4H8CHO-1+H2O2 2.76E+04 2.5 16480.0 Reverse Arrhenius coefficients: 3.83E+04 2.2 4471.02289. NC4H9CHO+HO2<=>C4H8CHO-2+H2O2 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.28E+03 2.6 4399.02290. NC4H9CHO+HO2<=>C4H8CHO-3+H2O2 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.28E+03 2.6 4399.02291. NC4H9CHO+HO2<=>C4H8CHO-4+H2O2 2.95E+04 2.6 13910.0 Reverse Arrhenius coefficients: 4.51E+06 2.0 11350.02292. NC4H9CHO+CH3O2<=>C4H8CHO-1+CH3O2H 6.03E+12 0.0 19380.0 Reverse Arrhenius coefficients: 3.44E+13 -0.5 6646.02293. NC4H9CHO+CH3O2<=>C4H8CHO-2+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 7.11E+11 -0.2 6821.02294. NC4H9CHO+CH3O2<=>C4H8CHO-3+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 7.11E+11 -0.2 6821.02295. NC4H9CHO+CH3O2<=>C4H8CHO-4+CH3O2H 3.98E+12 0.0 17050.0 Reverse Arrhenius coefficients: 2.50E+15 -0.8 13770.02296. IC3H7COC2H5+OH<=>IC3H6COC2H5+H2O 1.53E+08 1.5 8775.0 Reverse Arrhenius coefficients: 3.12E+07 1.5 28210.02297. IC3H7COC2H5+OH<=>TC3H6COC2H5+H2O 1.68E+12 0.0 -781.0 Reverse Arrhenius coefficients: 2.48E+13 -0.2 29920.02298. IC3H7COC2H5+OH<=>IC3H7COC2H4P+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 1.04E+11 0.0 20630.02299. IC3H7COC2H5+OH<=>IC3H7COC2H4S+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 1.06E+09 1.4 28840.02300. IC3H7COC2H5+HO2<=>IC3H6COC2H5+H2O2 2.74E+04 2.5 15500.0 Reverse Arrhenius coefficients: 3.32E+04 2.2 3472.02301. IC3H7COC2H5+HO2<=>TC3H6COC2H5+H2O2 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 6.99E+12 -0.5 11160.02302. IC3H7COC2H5+HO2<=>IC3H7COC2H4P+H2O2 1.38E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.67E+04 2.2 3472.02303. IC3H7COC2H5+HO2<=>IC3H7COC2H4S+H2O2 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.99E+06 2.0 11320.02304. IC3H7COC2H5+CH3O2<=>IC3H6COC2H5+CH3O2H 2.00E+04 2.5 15500.0 Reverse Arrhenius coefficients: 9.94E+04 2.0 2752.02305. IC3H7COC2H5+CH3O2<=>TC3H6COC2H5+CH3O2H 3.61E+03 2.5 8032.0 Reverse Arrhenius coefficients: 1.30E+06 1.9 6554.02306. IC3H7COC2H5+CH3O2<=>IC3H7COC2H4P+CH3O2H 6.03E+12 0.0 19380.0 Reverse Arrhenius coefficients: 3.00E+13 -0.5 6627.02307. IC3H7COC2H5+CH3O2<=>IC3H7COC2H4S+CH3O2H 1.77E+12 0.0 17050.0 Reverse Arrhenius coefficients: 9.83E+14 -0.8 13740.02308. IC3H6COC2H5<=>C3H6+C2H5CO 7.39E+18 -1.6 25680.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.02309. TC3H6COC2H5<=>IC3H5COC2H5+H 4.68E+17 -0.8 43890.0 Reverse Arrhenius coefficients: 3.10E+13 0.0 1500.02310. IC3H7COC2H4P<=>IC3H7CO+C2H4 1.19E+18 -1.5 26110.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 7800.02311. IC3H7COC2H4S<=>CH3CHCO+IC3H7 8.31E+16 -0.7 40410.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02312. IC3H5COC2H5+OH<=>AC3H4COC2H5+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 3.53E+08 1.4 32400.02313. IC3H5COC2H5+OH<=>IC3H5COC2H4P+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 1.03E+11 0.0 20620.02314. IC3H5COC2H5+OH<=>IC3H5COC2H4S+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 8.21E+08 1.4 28810.02315. IC3H5COC2H5+OH<=>CH3COCH3+C2H5CO 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 6.04E+10 0.1 26550.02316. IC3H5COC2H5+HO2<=>AC3H4COC2H5+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 6.48E+06 1.7 15140.02317. IC3H5COC2H5+HO2<=>IC3H5COC2H4P+H2O2 1.38E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.65E+04 2.2 3467.02318. IC3H5COC2H5+HO2<=>IC3H5COC2H4S+H2O2 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.54E+06 2.1 11290.02319. IC3H5COC2H5+CH3O2<=>AC3H4COC2H5+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 5.50E+15 -1.1 17560.02320. IC3H5COC2H5+CH3O2<=>IC3H5COC2H4P+CH3O2H 6.03E+12 0.0 19380.0 Reverse Arrhenius coefficients: 2.97E+13 -0.5 6622.02321. IC3H5COC2H5+CH3O2<=>IC3H5COC2H4S+CH3O2H 1.77E+12 0.0 17050.0 Reverse Arrhenius coefficients: 7.59E+14 -0.7 13710.02322. AC3H4COC2H5<=>C3H4-A+C2H5CO 8.69E+23 -2.9 57300.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 9600.02323. IC3H5COC2H4P<=>C2H4+IC3H5CO 2.87E+16 -1.2 18830.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 7800.02324. IC3H5COC2H4S<=>CH3CHCO+C3H5-T 1.42E+21 -1.9 55640.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02325. IC3H7COCH3+OH<=>IC3H6COCH3+H2O 1.53E+08 1.5 8775.0 Reverse Arrhenius coefficients: 4.78E+07 1.5 28270.02326. IC3H7COCH3+OH<=>TC3H6COCH3+H2O 1.68E+12 0.0 -781.0 Reverse Arrhenius coefficients: 2.42E+13 -0.2 29920.02327. IC3H7COCH3+OH<=>IC3H7COCH2+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 8.22E+13 -0.7 27700.02328. IC3H7COCH3+HO2<=>IC3H6COCH3+H2O2 2.74E+04 2.5 15500.0 Reverse Arrhenius coefficients: 5.09E+04 2.2 3532.02329. IC3H7COCH3+HO2<=>TC3H6COCH3+H2O2 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 6.82E+12 -0.5 11160.02330. IC3H7COCH3+HO2<=>IC3H7COCH2+H2O2 1.38E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.32E+07 1.5 10540.02331. IC3H7COCH3+CH3O2<=>IC3H6COCH3+CH3O2H 2.00E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.53E+05 2.0 2812.02332. IC3H7COCH3+CH3O2<=>TC3H6COCH3+CH3O2H 3.61E+03 2.5 8032.0 Reverse Arrhenius coefficients: 1.26E+06 1.9 6554.02333. IC3H7COCH3+CH3O2<=>IC3H7COCH2+CH3O2H 3.01E+12 0.0 17580.0 Reverse Arrhenius coefficients: 1.18E+16 -1.2 11900.02334. TC3H6COCH3+O2<=>CH3COCH3+CH2CO+OH 3.62E+10 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2335. TC3H6COCH3+O2<=>IC3H5COCH3+HO2 2.72E+11 0.0 7240.0 Reverse Arrhenius coefficients: 6.63E+09 0.2 14820.02336. TC3H6COCH3<=>IC3H5COCH3+H 1.83E+17 -0.8 43940.0 Reverse Arrhenius coefficients: 1.30E+13 0.0 1560.02337. TC3H6COCH3<=>IC3H6CO+CH3 2.44E+15 -0.4 41500.0 Reverse Arrhenius coefficients: 1.23E+11 0.0 10600.02338. IC3H7COCH2<=>IC3H7+CH2CO 2.88E+15 -0.5 39940.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 10600.02339. IC3H6COCH3<=>C3H6+CH3CO 5.49E+18 -1.6 27960.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 10600.02340. C5H91-2<=>C3H4-A+C2H5 6.18E+18 -1.6 32160.0 Reverse Arrhenius coefficients: 2.00E+11 0.0 7800.02341. IC5H8<=>C3H5-T+C2H3 3.46E+26 -2.6 116300.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.02342. IC5H8+O2<=>IC5H7+HO2 3.00E+12 0.0 39900.0 Reverse Arrhenius coefficients: 2.17E+12 -0.3 18.02343. IC5H8+H<=>IC5H7+H2 1.70E+05 2.5 2492.0 Reverse Arrhenius coefficients: 6.76E+06 1.9 20090.02344. IC5H8+O<=>IC5H7+OH 6.03E+10 0.7 7633.0 Reverse Arrhenius coefficients: 1.05E+12 0.1 23140.02345. IC5H8+OH<=>IC5H7+H2O 2.60E+06 2.0 -298.0 Reverse Arrhenius coefficients: 4.48E+08 1.4 32460.02346. IC5H8+CH3<=>IC5H7+CH4 2.21E+00 3.5 5675.0 Reverse Arrhenius coefficients: 3.69E+02 3.1 22870.02347. IC5H8+HO2<=>IC5H7+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 9.86E+06 1.7 15200.02348. IC5H8+CH3O2<=>IC5H7+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.99E+07 1.5 11970.02349. IC5H7<=>C3H4-A+C2H3 2.85E+15 -0.2 73840.0 Reverse Arrhenius coefficients: 1.89E+03 2.5 8520.02350. IC5H7+HO2<=>IC5H7O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.64E+13 -0.2 12480.02351. IC5H7+CH3O2<=>IC5H7O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.04E+11 0.3 15920.02352. IC5H7O<=>C4H5+CH2O 1.58E+21 -2.2 32480.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12600.02353. C4H5<=>C2H3+C2H2 3.98E+11 0.7 42260.0 Reverse Arrhenius coefficients: 8.76E+09 0.8 4450.02354. IC4H7-I1<=>C3H4-P+CH3 2.10E+12 0.1 29950.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.02355. C7H16-24<=>XC7H15+H 6.73E+16 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.02356. C7H16-24<=>YC7H15+H 2.63E+18 -0.9 96690.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.02357. C7H16-24<=>ZC7H15+H 9.93E+17 -0.7 98710.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.02358. C7H16-24<=>DC6H13+CH3 2.33E+24 -2.2 89140.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.02359. C7H16-24<=>IC3H7+IC4H9 2.40E+25 -2.6 88320.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.02360. C7H16-24+H<=>XC7H15+H2 3.76E+05 2.8 6280.0 Reverse Arrhenius coefficients: 8.05E+01 3.4 8612.02361. C7H16-24+H<=>YC7H15+H2 1.20E+06 2.4 2583.0 Reverse Arrhenius coefficients: 6.60E+00 3.6 9453.02362. C7H16-24+H<=>ZC7H15+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.89E+01 3.4 9324.02363. C7H16-24+CH3<=>XC7H15+CH4 1.81E+00 3.6 7154.0 Reverse Arrhenius coefficients: 3.54E-01 3.8 11030.02364. C7H16-24+CH3<=>YC7H15+CH4 1.20E-09 6.4 893.0 Reverse Arrhenius coefficients: 6.01E-12 7.1 9303.02365. C7H16-24+CH3<=>ZC7H15+CH4 8.40E+04 2.1 7574.0 Reverse Arrhenius coefficients: 1.11E+03 2.7 13970.02366. C7H16-24+C2H5<=>XC7H15+C2H6 2.00E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.02367. C7H16-24+C2H5<=>YC7H15+C2H6 2.00E+11 0.0 7900.0 Reverse Arrhenius coefficients: 3.00E+11 0.0 21000.02368. C7H16-24+C2H5<=>ZC7H15+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.02369. C7H16-24+O<=>XC7H15+OH 5.39E+07 2.0 5136.0 Reverse Arrhenius coefficients: 6.06E+03 2.6 6056.02370. C7H16-24+O<=>YC7H15+OH 7.94E+05 2.4 1150.0 Reverse Arrhenius coefficients: 2.28E+00 3.5 6608.02371. C7H16-24+O<=>ZC7H15+OH 5.95E+05 2.4 2846.0 Reverse Arrhenius coefficients: 4.53E+00 3.4 6287.02372. C7H16-24+OH<=>XC7H15+H2O 2.11E+10 1.0 1586.0 Reverse Arrhenius coefficients: 4.80E+07 1.5 18810.02373. C7H16-24+OH<=>YC7H15+H2O 1.15E+10 0.5 63.0 Reverse Arrhenius coefficients: 1.17E+11 0.5 21600.02374. C7H16-24+OH<=>ZC7H15+H2O 4.68E+07 1.6 -35.0 Reverse Arrhenius coefficients: 6.40E+05 1.9 21910.02375. C7H16-24+HO2<=>XC7H15+H2O2 1.62E+05 2.5 16690.0 Reverse Arrhenius coefficients: 2.01E+04 2.4 3022.02376. C7H16-24+HO2<=>YC7H15+H2O2 1.50E+04 2.5 12260.0 Reverse Arrhenius coefficients: 4.76E+01 3.0 3129.02377. C7H16-24+HO2<=>ZC7H15+H2O2 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 4.94E+02 2.8 3715.02378. C7H16-24+CH3O<=>XC7H15+CH3OH 6.40E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.02379. C7H16-24+CH3O<=>YC7H15+CH3OH 3.80E+10 0.0 2800.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 5200.02380. C7H16-24+CH3O<=>ZC7H15+CH3OH 1.10E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.90E+09 0.0 7200.02381. C7H16-24+O2<=>XC7H15+HO2 8.40E+13 0.0 52800.0 Reverse Arrhenius coefficients: 9.43E+10 0.3 448.02382. C7H16-24+O2<=>YC7H15+HO2 1.40E+13 0.0 48000.0 Reverse Arrhenius coefficients: 4.02E+08 0.8 186.02383. C7H16-24+O2<=>ZC7H15+HO2 1.40E+13 0.0 50160.0 Reverse Arrhenius coefficients: 1.07E+09 0.6 319.0

SUPPLEMENTAL MATERIAL2384. C7H16-24+C2H3<=>XC7H15+C2H4 2.00E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.60E+12 0.0 25400.02385. C7H16-24+C2H3<=>YC7H15+C2H4 4.00E+11 0.0 14300.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 23000.02386. C7H16-24+C2H3<=>ZC7H15+C2H4 4.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.02387. C7H16-24+CH3O2<=>XC7H15+CH3O2H 1.62E+05 2.5 16690.0 Reverse Arrhenius coefficients: 3.90E+05 2.0 1427.02388. C7H16-24+CH3O2<=>YC7H15+CH3O2H 1.50E+04 2.5 12260.0 Reverse Arrhenius coefficients: 9.26E+02 2.5 1534.02389. C7H16-24+CH3O2<=>ZC7H15+CH3O2H 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 9.62E+03 2.3 2120.02390. C7H16-24+XC7H15O2<=>XC7H15+XC7H15O2H 3.36E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02391. C7H16-24+YC7H15O2<=>XC7H15+YC7H15O2H 3.36E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02392. C7H16-24+ZC7H15O2<=>XC7H15+ZC7H15O2H 3.36E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02393. C7H16-24+XC7H15O2<=>YC7H15+XC7H15O2H 5.60E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02394. C7H16-24+YC7H15O2<=>YC7H15+YC7H15O2H 5.60E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02395. C7H16-24+ZC7H15O2<=>YC7H15+ZC7H15O2H 5.60E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02396. C7H16-24+XC7H15O2<=>ZC7H15+XC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02397. C7H16-24+YC7H15O2<=>ZC7H15+YC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02398. C7H16-24+ZC7H15O2<=>ZC7H15+ZC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02399. C7H16-24+XC7H15<=>YC7H15+C7H16-24 3.36E+13 0.0 7900.0 Reverse Arrhenius coefficients: 5.00E+12 0.0 12300.02400. C7H16-24+XC7H15<=>ZC7H15+C7H16-24 5.60E+12 0.0 10400.0 Reverse Arrhenius coefficients: 1.60E+11 0.0 12300.02401. C7H16-24+YC7H15<=>ZC7H15+C7H16-24 5.60E+12 0.0 10400.0 Reverse Arrhenius coefficients: 3.30E+11 0.0 7900.02402. C7H16-24+O2CHO<=>XC7H15+HO2CHO 3.36E+13 0.0 20440.0 Reverse Arrhenius coefficients: 2.29E+03 2.3 3057.02403. C7H16-24+O2CHO<=>YC7H15+HO2CHO 5.60E+12 0.0 16010.0 Reverse Arrhenius coefficients: 9.78E+00 2.8 3173.02404. C7H16-24+O2CHO<=>ZC7H15+HO2CHO 5.60E+12 0.0 17690.0 Reverse Arrhenius coefficients: 2.59E+01 2.6 2829.02405. XC7H15<=>C3H6+IC4H9 8.43E+20 -2.2 32420.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.02406. XC7H15<=>DC6H12+CH3 2.01E+19 -1.8 33330.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.02407. XC7H15<=>XC7H14+H 5.61E+14 -0.3 34450.0 Reverse Arrhenius coefficients: 2.60E+13 0.0 2500.02408. YC7H15<=>IC3H7+IC4H8 2.22E+20 -2.1 32470.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 9200.02409. YC7H15<=>XC7H14+H 1.44E+13 0.2 37690.0 Reverse Arrhenius coefficients: 2.60E+13 0.0 1200.02410. YC7H15<=>YC7H14+H 3.09E+13 0.0 36390.0 Reverse Arrhenius coefficients: 2.60E+13 0.0 2500.02411. ZC7H15<=>CC6H12+CH3 2.91E+18 -1.6 33250.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.02412. ZC7H15<=>YC7H14+H 8.20E+13 -0.1 34370.0 Reverse Arrhenius coefficients: 2.60E+13 0.0 2500.02413. XC7H15+O2<=>XC7H14+HO2 1.50E-29 0.0 2000.0 Reverse Arrhenius coefficients: 2.00E-29 0.0 17500.02414. YC7H15+O2<=>XC7H14+HO2 6.00E-29 0.0 5020.0 Reverse Arrhenius coefficients: 2.00E-29 0.0 17500.02415. YC7H15+O2<=>YC7H14+HO2 3.00E-29 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-29 0.0 17500.02416. ZC7H15+O2<=>YC7H14+HO2 3.00E-29 0.0 2000.0 Reverse Arrhenius coefficients: 2.00E-29 0.0 17500.02417. XC7H15<=>YC7H15 3.71E+11 0.0 23720.0 Reverse Arrhenius coefficients: 9.49E+09 0.5 28260.02418. XC7H14<=>IC3H7+IC4H7 2.21E+24 -2.4 74670.0 Reverse Arrhenius coefficients: 1.28E+14 -0.3 0.02419. YC7H14<=>CH3+CC6H11-B 4.47E+22 -2.1 75430.0 Reverse Arrhenius coefficients: 1.93E+14 -0.3 0.02420. XC7H15+HO2<=>XC7H15O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.51E+14 -0.5 26040.02421. YC7H15+HO2<=>YC7H15O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.41E+18 -1.3 28400.02422. ZC7H15+HO2<=>ZC7H15O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.78E+17 -1.2 28100.02423. XC7H15+CH3O2<=>XC7H15O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.32E+13 -0.2 30280.02424. YC7H15+CH3O2<=>YC7H15O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.51E+17 -1.0 32640.02425. ZC7H15+CH3O2<=>ZC7H15O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.86E+16 -0.9 32340.02426. XC7H14+OH<=>CH2O+DC6H13 2.00E+10 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2427. XC7H14+OH<=>CH3COCH3+IC4H9 2.00E+10 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2428. YC7H14+OH<=>CH3COCH3+IC4H9 2.00E+10 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2429. XC7H14+O<=>CH2O+CC6H12 2.00E+10 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2430. YC7H14+O<=>CH3COCH3+IC4H8 2.00E+10 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2431. XC7H14+H<=>XC7H13-X1+H2 1.73E+05 2.5 2492.0 Reverse Arrhenius coefficients: 7.05E+06 1.9 20130.02432. XC7H14+H<=>XC7H13-Z+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 4.42E+06 2.1 20370.02433. XC7H14+H<=>XC7H13-Y2+H2 6.02E+05 2.4 2583.0 Reverse Arrhenius coefficients: 4.74E+02 3.0 11180.02434. XC7H14+H<=>XC7H13-X2+H2 1.33E+06 2.5 6756.0 Reverse Arrhenius coefficients: 6.88E+04 2.5 11080.02435. XC7H14+OH<=>XC7H13-X1+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 5.50E+08 1.4 32500.02436. XC7H14+OH<=>XC7H13-Z+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 1.57E+06 2.4 33400.02437. XC7H14+OH<=>XC7H13-Y2+H2O 5.73E+10 0.5 63.0 Reverse Arrhenius coefficients: 1.95E+08 1.1 23820.02438. XC7H14+OH<=>XC7H13-X2+H2O 1.05E+10 1.0 1586.0 Reverse Arrhenius coefficients: 2.36E+09 0.9 21060.02439. XC7H14+CH3<=>XC7H13-X1+CH4 2.21E+00 3.5 5675.0 Reverse Arrhenius coefficients: 2.35E+03 2.9 23800.02440. XC7H14+CH3<=>XC7H13-Z+CH4 3.69E+00 3.3 4002.0 Reverse Arrhenius coefficients: 1.26E+03 3.0 24640.02441. XC7H14+CH3<=>XC7H13-Y2+CH4 6.01E-10 6.4 893.0 Reverse Arrhenius coefficients: 1.24E-11 6.9 9973.02442. XC7H14+CH3<=>XC7H13-X2+CH4 9.04E-01 3.6 7154.0 Reverse Arrhenius coefficients: 1.22E+00 3.6 11950.02443. XC7H14+HO2<=>XC7H13-X1+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.01E+07 1.7 15240.02444. XC7H14+HO2<=>XC7H13-Z+H2O2 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.62E+06 2.0 14380.02445. XC7H14+HO2<=>XC7H13-Y2+H2O2 3.61E+03 2.5 10530.0 Reverse Arrhenius coefficients: 7.30E+01 2.8 2824.02446. XC7H14+HO2<=>XC7H13-X2+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 6.33E+04 2.2 4506.02447. XC7H14+CH3O2<=>XC7H13-X1+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 2.10E+07 1.5 12220.02448. XC7H14+CH3O2<=>XC7H13-Z+CH3O2H 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.38E+06 1.8 11360.02449. XC7H14+CH3O2<=>XC7H13-Y2+CH3O2H 3.61E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.52E+02 2.6 -196.02450. XC7H14+CH3O2<=>XC7H13-X2+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.32E+05 2.0 1486.02451. XC7H14+CH3O<=>XC7H13-X1+CH3OH 9.00E+01 3.0 11990.0 Reverse Arrhenius coefficients: 1.77E+03 2.4 27900.02452. XC7H14+CH3O<=>XC7H13-Z+CH3OH 4.00E+01 2.9 8609.0 Reverse Arrhenius coefficients: 2.52E+02 2.7 27040.02453. XC7H14+CH3O<=>XC7H13-Y2+CH3OH 2.29E+10 0.0 2873.0 Reverse Arrhenius coefficients: 8.69E+06 0.6 9743.02454. XC7H14+CH3O<=>XC7H13-X2+CH3OH 4.34E+11 0.0 6458.0 Reverse Arrhenius coefficients: 1.08E+10 0.0 9048.02455. YC7H14+H<=>XC7H13-Z+H2 3.46E+05 2.5 2492.0 Reverse Arrhenius coefficients: 9.75E+06 2.1 20050.02456. YC7H14+H<=>YC7H13-Y2+H2 2.65E+06 2.2 0.0 Reverse Arrhenius coefficients: 1.84E+07 2.1 22290.02457. YC7H14+H<=>YC7H13-X2+H2 1.33E+06 2.5 6756.0 Reverse Arrhenius coefficients: 6.18E+04 2.5 11080.02458. YC7H14+OH<=>XC7H13-Z+H2O 6.24E+06 2.0 -298.0 Reverse Arrhenius coefficients: 7.61E+08 1.6 32420.02459. YC7H14+OH<=>YC7H13-Y2+H2O 6.14E+02 3.2 -3500.0 Reverse Arrhenius coefficients: 1.84E+04 3.1 33940.02460. YC7H14+OH<=>YC7H13-X2+H2O 1.05E+10 1.0 1586.0 Reverse Arrhenius coefficients: 2.12E+09 1.0 21060.02461. XC7H13-X1<=>C3H4-A+IC4H9 8.71E+21 -2.4 59530.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02462. XC7H13-Z<=>ACC6H10+CH3 2.84E+16 -0.8 41230.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02463. XC7H13-Z+HO2<=>XC7H13O-Z+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 5.41E+14 -0.7 15380.02464. XC7H13-Z+CH3O2<=>XC7H13O-Z+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 5.28E+16 -1.3 20140.02465. XC7H13-Z+C2H5O2<=>XC7H13O-Z+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 3.46E+13 -0.4 17980.02466. XC7H13-Y2<=>IC4H8+C3H5-T 6.32E+18 -1.8 43600.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 8800.02467. XC7H13-X2<=>C3H6+IC4H7 2.10E+16 -1.1 17820.0 Reverse Arrhenius coefficients: 7.50E+10 0.0 9200.02468. YC7H13-Y2+HO2<=>YC7H13O-Y2+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.11E+15 -1.0 17000.02469. YC7H13-Y2+CH3O2<=>YC7H13O-Y2+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.06E+17 -1.6 21760.02470. YC7H13-Y2+C2H5O2<=>YC7H13O-Y2+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.35E+14 -0.6 19610.02471. YC7H13-X2<=>C3H6+IC4H7-I1 1.23E+18 -1.4 43840.0 Reverse Arrhenius coefficients: 7.50E+10 0.0 9200.02472. XC7H13O-Z<=>IC3H7CHO+C3H5-T 7.52E+21 -2.4 30190.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02473. YC7H13O-Y2<=>CH3COCH3+IC4H7-I1 1.31E+18 -1.3 29420.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02474. XC7H15O2<=>XC7H15+O2 1.25E+20 -1.6 35670.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02475. YC7H15O2<=>YC7H15+O2 3.41E+23 -2.4 37210.0 Reverse Arrhenius coefficients: 3.00E+12 0.0 0.02476. ZC7H15O2<=>ZC7H15+O2 2.97E+22 -2.2 37940.0 Reverse Arrhenius coefficients: 2.25E+12 0.0 0.02477. XC7H15+XC7H15O2<=>XC7H15O+XC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.74E+13 -0.1 29750.02478. XC7H15+YC7H15O2<=>XC7H15O+YC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.89E+13 -0.1 30560.02479. XC7H15+ZC7H15O2<=>XC7H15O+ZC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.24E+13 -0.2 29540.02480. YC7H15+XC7H15O2<=>YC7H15O+XC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.78E+16 -1.0 32100.02481. YC7H15+YC7H15O2<=>YC7H15O+YC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.36E+16 -1.0 32910.02482. YC7H15+ZC7H15O2<=>YC7H15O+ZC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.49E+17 -1.1 31890.02483. ZC7H15+XC7H15O2<=>ZC7H15O+XC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.51E+16 -0.8 31810.02484. ZC7H15+YC7H15O2<=>ZC7H15O+YC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.73E+16 -0.8 32620.02485. ZC7H15+ZC7H15O2<=>ZC7H15O+ZC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.79E+16 -0.9 31600.02486. XC7H15O2+HO2<=>XC7H15O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.74E+13 -0.8 33610.02487. YC7H15O2+HO2<=>YC7H15O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.78E+13 -0.8 33610.0

SUPPLEMENTAL MATERIAL2488. ZC7H15O2+HO2<=>ZC7H15O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.89E+13 -0.8 33630.02489. XC7H15O2+H2O2<=>XC7H15O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.02490. YC7H15O2+H2O2<=>YC7H15O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.02491. ZC7H15O2+H2O2<=>ZC7H15O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.02492. XC7H15O2+CH3O2<=>XC7H15O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2493. YC7H15O2+CH3O2<=>YC7H15O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2494. ZC7H15O2+CH3O2<=>ZC7H15O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2495. XC7H15O2+XC7H15O2<=>O2+XC7H15O+XC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2496. XC7H15O2+YC7H15O2<=>XC7H15O+YC7H15O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2497. XC7H15O2+ZC7H15O2<=>XC7H15O+ZC7H15O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2498. YC7H15O2+YC7H15O2<=>O2+YC7H15O+YC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2499. YC7H15O2+ZC7H15O2<=>YC7H15O+ZC7H15O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2500. ZC7H15O2+ZC7H15O2<=>O2+ZC7H15O+ZC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2501. XC7H15O2H<=>XC7H15O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 2.06E+07 1.9 -6512.02502. YC7H15O2H<=>YC7H15O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.40E+07 1.9 -5702.02503. ZC7H15O2H<=>ZC7H15O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 3.02E+07 1.9 -6742.02504. XC7H15O<=>DC6H13+CH2O 3.97E+22 -2.6 24500.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02505. YC7H15O<=>IC4H9+CH3COCH3 8.19E+23 -2.9 18020.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02506. ZC7H15O<=>IC3H7+IC3H7CHO 2.63E+24 -3.0 21010.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02507. XC7H15O2<=>XC7H14OOH-X1 3.75E+10 0.0 24400.0 Reverse Arrhenius coefficients: 9.13E+10 -0.5 8940.02508. XC7H15O2<=>XC7H14OOH-Y1 1.00E+11 0.0 24100.0 Reverse Arrhenius coefficients: 2.06E+09 0.1 12930.02509. XC7H15O2<=>XC7H14OOH-Z 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 2.94E+09 -0.1 7860.02510. XC7H15O2<=>XC7H14OOH-Y2 1.56E+09 0.0 17050.0 Reverse Arrhenius coefficients: 3.22E+07 0.1 5880.02511. XC7H15O2<=>XC7H14OOH-X2 1.17E+09 0.0 25550.0 Reverse Arrhenius coefficients: 2.86E+09 -0.5 10090.02512. YC7H15O2<=>YC7H14OOH-X1 6.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 1.46E+12 -0.5 13940.02513. YC7H15O2<=>YC7H14OOH-Z 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.11E+10 -0.1 13840.02514. YC7H15O2<=>YC7H14OOH-Y2 1.25E+10 0.0 19100.0 Reverse Arrhenius coefficients: 2.79E+08 0.1 7940.02515. YC7H15O2<=>YC7H14OOH-X2 9.38E+09 0.0 22350.0 Reverse Arrhenius coefficients: 2.28E+10 -0.5 6890.02516. ZC7H15O2<=>ZC7H14OOH-X 1.50E+11 0.0 24400.0 Reverse Arrhenius coefficients: 5.10E+11 -0.6 8970.02517. ZC7H15O2<=>ZC7H14OOH-Y 2.00E+11 0.0 24100.0 Reverse Arrhenius coefficients: 8.11E+09 0.0 12990.02518. XC7H15O2<=>XC7H14+HO2 4.53E+35 -7.2 39490.0 Reverse Arrhenius coefficients: 1.59E+27 -5.4 20740.02519. YC7H15O2<=>XC7H14+HO2 1.01E+43 -9.4 41490.0 Reverse Arrhenius coefficients: 3.39E+32 -7.3 16660.02520. YC7H15O2<=>YC7H14+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 7.82E+27 -5.8 18260.02521. ZC7H15O2<=>YC7H14+HO2 9.06E+35 -7.2 39490.0 Reverse Arrhenius coefficients: 4.56E+25 -4.9 18550.02522. XC7H14OOH-X1<=>X-X1C7H14O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2523. XC7H14OOH-Y1<=>X-Y1C7H14O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2524. XC7H14OOH-Z<=>X-ZC7H14O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2525. XC7H14OOH-Y2<=>X-Y2C7H14O+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2526. XC7H14OOH-X2<=>X-X2C7H14O+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2527. YC7H14OOH-X1<=>X-Y1C7H14O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2528. YC7H14OOH-Z<=>Y-ZC7H14O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2529. YC7H14OOH-Y2<=>Y-YC7H14O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2530. YC7H14OOH-X2<=>X-Y2C7H14O+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2531. ZC7H14OOH-X<=>X-ZC7H14O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2532. ZC7H14OOH-Y<=>Y-ZC7H14O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2533. XC7H14OOH-Y1<=>XC7H14+HO2 3.38E+18 -1.8 19480.0 Reverse Arrhenius coefficients: 5.75E+11 0.0 11900.02534. YC7H14OOH-X1<=>XC7H14+HO2 4.19E+22 -2.7 21270.0 Reverse Arrhenius coefficients: 5.75E+11 0.0 11900.02535. YC7H14OOH-Z<=>YC7H14+HO2 9.83E+20 -2.4 18730.0 Reverse Arrhenius coefficients: 1.44E+11 0.0 9512.02536. ZC7H14OOH-Y<=>YC7H14+HO2 1.16E+20 -2.3 19340.0 Reverse Arrhenius coefficients: 1.44E+11 0.0 9512.02537. XC7H14OOH-X1<=>OH+CH2O+DC6H12 5.00E+13 0.0 25500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2538. XC7H14OOH-Z<=>OH+CH2O+CC6H12 5.00E+13 0.0 25500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2539. YC7H14OOH-Y2<=>OH+CH3COCH3+IC4H8 5.00E+13 0.0 25500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2540. ZC7H14OOH-X<=>OH+IC3H7CHO+C3H6 5.00E+13 0.0 25500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2541. XC7H14OOH-X1O2<=>XC7H14OOH-X1+O2 1.66E+20 -1.6 35720.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02542. XC7H14OOH-Y1O2<=>XC7H14OOH-Y1+O2 1.32E+24 -2.5 37500.0 Reverse Arrhenius coefficients: 3.00E+12 0.0 0.02543. XC7H14OOH-ZO2<=>XC7H14OOH-Z+O2 2.58E+22 -2.3 38020.0 Reverse Arrhenius coefficients: 2.25E+12 0.0 0.02544. XC7H14OOH-Y2O2<=>XC7H14OOH-Y2+O2 1.32E+24 -2.5 37500.0 Reverse Arrhenius coefficients: 3.00E+12 0.0 0.02545. XC7H14OOH-X2O2<=>XC7H14OOH-X2+O2 1.66E+20 -1.6 35720.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02546. YC7H14OOH-X1O2<=>YC7H14OOH-X1+O2 1.61E+20 -1.6 35710.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02547. YC7H14OOH-ZO2<=>YC7H14OOH-Z+O2 2.56E+22 -2.3 38020.0 Reverse Arrhenius coefficients: 2.25E+12 0.0 0.02548. YC7H14OOH-Y2O2<=>YC7H14OOH-Y2+O2 1.20E+24 -2.5 37480.0 Reverse Arrhenius coefficients: 3.00E+12 0.0 0.02549. YC7H14OOH-X2O2<=>YC7H14OOH-X2+O2 1.61E+20 -1.6 35710.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02550. ZC7H14OOH-XO2<=>ZC7H14OOH-X+O2 5.52E+19 -1.6 35670.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02551. ZC7H14OOH-YO2<=>ZC7H14OOH-Y+O2 2.89E+23 -2.4 37410.0 Reverse Arrhenius coefficients: 3.00E+12 0.0 0.02552. XC7H14OOH-X1O2<=>C7KET24XX1+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 3.83E+03 1.5 44420.02553. XC7H14OOH-Y1O2<=>C7KET24XY1+OH 2.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 8.32E+04 1.3 48720.02554. XC7H14OOH-ZO2<=>C7KET24XZ+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 2.98E+03 1.4 44470.02555. XC7H14OOH-Y2O2<=>C7KET24XY2+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 2.67E+02 1.4 42380.02556. XC7H14OOH-X2O2<=>C7KET24XX2+OH 3.91E+08 0.0 22550.0 Reverse Arrhenius coefficients: 3.01E+01 1.5 45570.02557. ZC7H14OOH-XO2<=>C7KET24ZX+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 2.17E+02 1.7 43610.02558. ZC7H14OOH-YO2<=>C7KET24ZY+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 1.32E+04 1.5 49000.02559. C7KET24XX1<=>CH2O+DC5H10CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2560. C7KET24XY1<=>IC4H9COCH3+HCO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2561. C7KET24XZ<=>IC3H7CHO+CH3CHCHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2562. C7KET24XY2<=>CH3COCH3+IC3H6CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2563. C7KET24XX2<=>CH2O+C5H10CHO5-2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2564. C7KET24ZX<=>CH2O+IC3H7COC2H4S+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2565. C7KET24ZY<=>CH3COCH3+IC3H7CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2566. X-X1C7H14O+OH<=>DC6H12+HCO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2567. X-Y1C7H14O+OH<=>IC3H5CHO+IC3H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2568. X-ZC7H14O+OH<=>CC6H12+HCO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2569. X-Y2C7H14O+OH<=>IC4H8+CH3CHCHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2570. X-X2C7H14O+OH<=>C3H6+IC3H6CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2571. Y-YC7H14O+OH<=>CH3COCH3+IC4H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2572. Y-ZC7H14O+OH<=>IC3H5CHO+IC3H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2573. X-X1C7H14O+OH<=>CH2O+DC6H11-C+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2574. X-Y1C7H14O+OH<=>IC4H8+CH3COCH2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00

SUPPLEMENTAL MATERIAL this reaction will be treated as irreversible2575. X-ZC7H14O+OH<=>C3H6+IC3H7CO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2576. X-Y2C7H14O+OH<=>CH3COCH3+IC4H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2577. X-X2C7H14O+OH<=>CH2O+AC6H11-D+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2578. Y-YC7H14O+OH<=>CH3COCH3+IC4H7-I1+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2579. Y-ZC7H14O+OH<=>IC3H6CO+IC3H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2580. X-X1C7H14O+HO2<=>DC6H12+HCO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2581. X-Y1C7H14O+HO2<=>IC3H5CHO+IC3H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2582. X-ZC7H14O+HO2<=>CC6H12+HCO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2583. X-Y2C7H14O+HO2<=>IC4H8+CH3CHCHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2584. X-X2C7H14O+HO2<=>C3H6+IC3H6CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2585. Y-YC7H14O+HO2<=>CH3COCH3+IC4H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2586. Y-ZC7H14O+HO2<=>IC3H5CHO+IC3H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2587. X-X1C7H14O+HO2<=>CH2O+DC6H11-C+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2588. X-Y1C7H14O+HO2<=>IC4H8+CH3COCH2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2589. X-ZC7H14O+HO2<=>C3H6+IC3H7CO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2590. X-Y2C7H14O+HO2<=>CH3COCH3+IC4H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2591. X-X2C7H14O+HO2<=>CH2O+AC6H11-D+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2592. Y-YC7H14O+HO2<=>CH3COCH3+IC4H7-I1+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2593. Y-ZC7H14O+HO2<=>IC3H6CO+IC3H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2594. XC7H14OH<=>XC7H14+OH 6.82E+13 -0.3 28150.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.02595. XO2C7H14OH<=>XC7H14OH+O2 2.26E+22 -2.2 37130.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.02596. XO2C7H14OH<=>IC4H9COCH3+CH2O+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2597. YC7H14OH<=>YC7H14+OH 1.91E+16 -0.9 30050.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.02598. YO2C7H14OH<=>YC7H14OH+O2 4.84E+21 -2.1 37100.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.02599. YO2C7H14OH<=>IC3H7CHO+CH3COCH3+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2600. ACC6H10+OH<=>ACC6H9-A+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 5.49E+08 1.4 32460.02601. ACC6H10+OH<=>ACC6H9-D+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 5.49E+08 1.4 32460.02602. ACC6H10+HO2<=>ACC6H9-A+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.01E+07 1.7 15210.02603. ACC6H10+HO2<=>ACC6H9-D+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.01E+07 1.7 15210.02604. ACC6H10+CH3O2<=>ACC6H9-A+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 4.14E+07 1.5 14490.02605. ACC6H10+CH3O2<=>ACC6H9-D+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 4.14E+07 1.5 14490.02606. ACC6H9-A<=>C3H4-A+C3H5-S 1.19E+24 -2.9 74310.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.02607. ACC6H9-D+HO2<=>IC3H5CHO+C2H3+OH 8.91E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2608. NEOC5H12+H<=>NEOC5H11+H2 9.79E+05 2.8 8147.0 Reverse Arrhenius coefficients: 4.42E-01 4.0 9641.02609. NEOC5H12+O<=>NEOC5H11+OH 1.14E+04 3.0 3123.0 Reverse Arrhenius coefficients: 2.67E-03 4.2 3205.02610. NEOC5H12+OH<=>NEOC5H11+H2O 3.16E+07 1.8 298.1 Reverse Arrhenius coefficients: 1.51E+02 2.9 16680.02611. NEOC5H12+CH3<=>NEOC5H11+CH4 5.68E-14 8.1 4150.0 Reverse Arrhenius coefficients: 2.34E-17 8.8 7184.02612. NEOC5H12+HO2<=>NEOC5H11+H2O2 8.16E+01 3.6 17160.0 Reverse Arrhenius coefficients: 2.13E-02 4.1 2654.02613. NEOC5H12+CH3O<=>NEOC5H11+CH3OH 6.40E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.02614. NEOC5H12+O2<=>NEOC5H11+HO2 4.95E+13 0.0 49000.0 Reverse Arrhenius coefficients: 1.17E+08 0.9 -4195.02615. NEOC5H12+C2H5<=>NEOC5H11+C2H6 2.00E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.02616. NEOC5H12+C2H3<=>NEOC5H11+C2H4 2.00E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.60E+12 0.0 25400.02617. NEOC5H12+O2CHO<=>NEOC5H11+HO2CHO 7.20E+04 2.5 16680.0 Reverse Arrhenius coefficients: 1.08E+03 2.5 3125.02618. NEOC5H12+CH3O2<=>NEOC5H11+CH3O2H 8.16E+01 3.6 17160.0 Reverse Arrhenius coefficients: 4.15E-01 3.7 1059.02619. IC4H6OH+NEOC5H12<=>IC4H7OH+NEOC5H11 9.40E+02 3.3 19840.0 Reverse Arrhenius coefficients: 5.08E-01 3.7 7668.02620. IC4H7O+NEOC5H12<=>IC4H7OH+NEOC5H11 5.40E+11 0.0 4000.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 9000.02621. TC3H6CHO+NEOC5H12<=>IC3H7CHO+NEOC5H11 9.40E+02 3.3 19840.0 Reverse Arrhenius coefficients: 7.16E+01 3.2 9819.02622. NEOC5H12+CH2CCH2OH<=>NEOC5H11+C3H5OH 1.59E+12 0.0 20500.0 Reverse Arrhenius coefficients: 4.97E+11 -0.2 29620.02623. NEOC5H11<=>IC4H8+CH3 8.47E+17 -1.1 32930.0 Reverse Arrhenius coefficients: 1.30E+03 2.5 8520.02624. NEOC5H11+HO2<=>NEOC5H11O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.45E+11 0.8 24900.02625. NEOC5H11+CH3O2<=>NEOC5H11O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.05E+09 1.1 29140.02626. NEOC5H11O2<=>NEOC5H11+O2 9.75E+20 -2.4 34530.0 Reverse Arrhenius coefficients: 1.99E+17 -2.1 0.02627. NEOC5H11O2+NEOC5H12<=>NEOC5H11O2H+NEOC5H11 2.42E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02628. NEOC5H11+NEOC5H11O2<=>NEOC5H11O+NEOC5H11O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.47E+09 1.1 28610.02629. NEOC5H11O2+HO2<=>NEOC5H11O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.84E+13 -0.8 33620.02630. NEOC5H11O2+H2O2<=>NEOC5H11O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.02631. NEOC5H11O2+CH3O2<=>NEOC5H11O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2632. NEOC5H11O2+NEOC5H11O2 1.40E+16 -1.6 1860.0 <=>O2+NEOC5H11O+NEOC5H11O REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2633. NEOC5H11O2H<=>NEOC5H11O+OH 1.50E+16 0.0 42500.0 Reverse Arrhenius coefficients: 2.88E+07 1.9 -3022.02634. NEOC5H11O<=>CH2O+TC4H9 2.65E+25 -3.2 23930.0 Reverse Arrhenius coefficients: 2.00E+11 0.0 11900.02635. NEOC5H11O2<=>NEOC5H10OOH 1.12E+11 0.0 24400.0 Reverse Arrhenius coefficients: 9.14E+10 -0.5 8950.02636. NEOC5H10OOH<=>NEO-C5H10O+OH 2.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2637. NEOC5H10OOH<=>OH+CH2O+IC4H8 3.01E+17 -1.2 29950.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2638. NEOC5H10OOH<=>IC4H7OOH+CH3 9.03E+21 -2.3 32830.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 10100.02639. NEOC5H10OOH-O2<=>NEOC5H10OOH+O2 1.37E+25 -3.7 35700.0 Reverse Arrhenius coefficients: 1.99E+17 -2.1 0.02640. NEOC5H10OOH-O2<=>NEOC5H9Q2 7.50E+10 0.0 24400.0 Reverse Arrhenius coefficients: 1.76E+11 -0.5 8940.02641. NEOC5H10OOH-O2<=>NEOC5H9Q2-N 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 4.44E+10 -0.5 10960.02642. NEOC5H9Q2<=>IC4H7OOH+CH2O2H 7.09E+19 -1.6 35540.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02643. NEOC5H9Q2<=>IC4H6Q2-II+CH3 2.19E+16 -0.7 32650.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02644. NEOC5H9Q2-N<=>NEOC5KET+OH 9.00E+14 0.0 1500.0 Reverse Arrhenius coefficients: 1.67E+09 1.6 31880.02645. NEOC5KET<=>NEOC5KETOX+OH 1.50E+16 0.0 42000.0 Reverse Arrhenius coefficients: 2.01E+09 1.5 -4125.02646. NEOC5KETOX<=>TC3H6CHO+CH2O 2.48E+21 -2.5 15830.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02647. NEOC5KETOX<=>NEOC5KEJOL 2.00E+11 0.0 7600.0 Reverse Arrhenius coefficients: 2.54E+09 0.4 22270.02648. NEOC5KEJOL<=>IC4H8OH+CO 2.27E+21 -2.3 11020.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 4800.02649. IC4H6Q2-II<=>C3H4-A+CH2O+HO2+OH 1.00E+16 0.0 43000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2650. NEO-C5H10O+OH<=>TC4H8CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2651. NEO-C5H10O+OH<=>IC4H7+CH2O+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2652. NEO-C5H10O+HO2<=>TC4H8CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2653. NEO-C5H10O+HO2<=>IC4H7+CH2O+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2654. NEO-C5H10O+H<=>TC4H8CHO+H2 3.54E+07 2.0 5000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2655. NEO-C5H10O+H<=>IC4H7+CH2O+H2 1.33E+06 2.5 6756.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2656. NEO-C5H10O<=>IC4H8+CH2O 3.80E+15 0.0 60700.0 Reverse Arrhenius coefficients: 3.15E+04 2.0 59730.02657. NEOC6H14<=>BC5H11+CH3 5.74E+26 -2.8 88400.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.02658. NEOC6H14<=>TC4H9+C2H5 1.35E+28 -3.2 87450.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.02659. NEOC6H14<=>NEOC5H11+CH3 1.06E+18 -0.5 88090.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.02660. NEOC6H14<=>FC6H13+H 2.05E+17 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.02661. NEOC6H14<=>GC6H13+H 1.13E+18 -0.7 98730.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.02662. NEOC6H14<=>HC6H13+H 6.84E+16 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.0

SUPPLEMENTAL MATERIAL2663. NEOC6H14+H<=>FC6H13+H2 9.79E+05 2.8 8147.0 Reverse Arrhenius coefficients: 6.89E+01 3.4 10480.02664. NEOC6H14+H<=>GC6H13+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.66E+01 3.4 9304.02665. NEOC6H14+H<=>HC6H13+H2 9.40E+04 2.8 6280.0 Reverse Arrhenius coefficients: 1.98E+01 3.4 8612.02666. NEOC6H14+O<=>FC6H13+OH 4.05E+07 2.0 5136.0 Reverse Arrhenius coefficients: 1.50E+03 2.6 6056.02667. NEOC6H14+O<=>GC6H13+OH 5.95E+05 2.4 2846.0 Reverse Arrhenius coefficients: 3.99E+00 3.4 6267.02668. NEOC6H14+O<=>HC6H13+OH 1.05E+06 2.4 4766.0 Reverse Arrhenius coefficients: 1.16E+02 3.0 5686.02669. NEOC6H14+OH<=>FC6H13+H2O 2.37E+07 1.8 298.1 Reverse Arrhenius coefficients: 1.78E+04 2.3 17520.02670. NEOC6H14+OH<=>GC6H13+H2O 4.70E+07 1.6 -35.0 Reverse Arrhenius coefficients: 6.39E+03 2.5 19690.02671. NEOC6H14+OH<=>HC6H13+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.18E+07 1.5 18810.02672. NEOC6H14+CH3<=>FC6H13+CH4 1.36E+00 3.6 7154.0 Reverse Arrhenius coefficients: 8.72E-02 3.8 11030.02673. NEOC6H14+CH3<=>GC6H13+CH4 8.40E+04 2.1 7574.0 Reverse Arrhenius coefficients: 9.79E+02 2.7 13950.02674. NEOC6H14+CH3<=>HC6H13+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 8.70E-02 3.8 11030.02675. NEOC6H14+HO2<=>FC6H13+H2O2 8.10E+04 2.5 16680.0 Reverse Arrhenius coefficients: 3.30E+03 2.4 3012.02676. NEOC6H14+HO2<=>GC6H13+H2O2 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 4.35E+02 2.8 3695.02677. NEOC6H14+HO2<=>HC6H13+H2O2 4.05E+04 2.5 16690.0 Reverse Arrhenius coefficients: 4.94E+03 2.4 3022.02678. NEOC6H14+CH3O<=>FC6H13+CH3OH 4.80E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.02679. NEOC6H14+CH3O<=>GC6H13+CH3OH 1.09E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.90E+09 0.0 7200.02680. NEOC6H14+CH3O<=>HC6H13+CH3OH 1.60E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.02681. NEOC6H14+O2<=>FC6H13+HO2 6.30E+13 0.0 52800.0 Reverse Arrhenius coefficients: 2.33E+10 0.3 448.02682. NEOC6H14+O2<=>GC6H13+HO2 1.40E+13 0.0 50160.0 Reverse Arrhenius coefficients: 9.38E+08 0.6 299.02683. NEOC6H14+O2<=>HC6H13+HO2 2.10E+13 0.0 52800.0 Reverse Arrhenius coefficients: 2.32E+10 0.3 448.02684. NEOC6H14+C2H5<=>FC6H13+C2H6 1.50E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.02685. NEOC6H14+C2H5<=>GC6H13+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.02686. NEOC6H14+C2H5<=>HC6H13+C2H6 5.00E+10 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.02687. NEOC6H14+C2H3<=>FC6H13+C2H4 1.50E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.60E+12 0.0 25400.02688. NEOC6H14+C2H3<=>GC6H13+C2H4 4.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.02689. NEOC6H14+C2H3<=>HC6H13+C2H4 5.00E+11 0.0 18000.0 Reverse Arrhenius coefficients: 2.60E+12 0.0 25400.02690. NEOC6H14+CH3O2<=>FC6H13+CH3O2H 8.10E+04 2.5 16680.0 Reverse Arrhenius coefficients: 6.42E+04 2.0 1417.02691. NEOC6H14+CH3O2<=>GC6H13+CH3O2H 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 8.46E+03 2.4 2100.02692. NEOC6H14+CH3O2<=>HC6H13+CH3O2H 4.05E+04 2.5 16690.0 Reverse Arrhenius coefficients: 9.62E+04 2.0 1427.02693. NEOC6H14+FC6H13<=>GC6H13+NEOC6H14 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 2.25E+11 0.0 12300.02694. NEOC6H14+FC6H13<=>HC6H13+NEOC6H14 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 2.25E+11 0.0 12300.02695. NEOC6H14+GC6H13<=>HC6H13+NEOC6H14 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 10400.02696. FC6H13O2+NEOC6H14<=>FC6H13O2H+FC6H13 1.81E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02697. GC6H13O2+NEOC6H14<=>GC6H13O2H+FC6H13 1.81E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02698. HC6H13O2+NEOC6H14<=>HC6H13O2H+FC6H13 1.81E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02699. FC6H13O2+NEOC6H14<=>FC6H13O2H+GC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02700. GC6H13O2+NEOC6H14<=>GC6H13O2H+GC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02701. HC6H13O2+NEOC6H14<=>HC6H13O2H+GC6H13 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02702. FC6H13O2+NEOC6H14<=>FC6H13O2H+HC6H13 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02703. GC6H13O2+NEOC6H14<=>GC6H13O2H+HC6H13 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02704. HC6H13O2+NEOC6H14<=>HC6H13O2H+HC6H13 6.05E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02705. NEOC6H14+O2CHO<=>FC6H13+HO2CHO 2.52E+13 0.0 20440.0 Reverse Arrhenius coefficients: 5.66E+02 2.3 3057.02706. NEOC6H14+O2CHO<=>GC6H13+HO2CHO 5.60E+12 0.0 17690.0 Reverse Arrhenius coefficients: 2.28E+01 2.6 2809.02707. NEOC6H14+O2CHO<=>HC6H13+HO2CHO 8.40E+12 0.0 20440.0 Reverse Arrhenius coefficients: 5.65E+02 2.3 3057.02708. FC6H13<=>IC4H8+C2H5 6.34E+22 -2.7 32750.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02709. GC6H13<=>BC5H10+CH3 4.53E+20 -2.1 33830.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02710. GC6H13<=>NEOC6H12+H 6.32E+12 0.1 37830.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 1200.02711. HC6H13<=>C2H4+TC4H9 5.46E+23 -3.0 30610.0 Reverse Arrhenius coefficients: 1.70E+11 0.0 8300.02712. HC6H13<=>NEOC6H12+H 1.04E+14 -0.3 37030.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.02713. GC6H13+O2<=>NEOC6H12+HO2 4.50E-29 0.0 5020.0 Reverse Arrhenius coefficients: 2.00E-29 0.0 17500.02714. HC6H13+O2<=>NEOC6H12+HO2 3.00E-29 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-29 0.0 17500.02715. FC6H13<=>HC6H13 3.00E+11 0.0 21100.0 Reverse Arrhenius coefficients: 9.00E+11 0.0 21100.02716. NEOC6H12<=>CH3+CC5H9-B 1.53E+23 -2.2 74190.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.02717. NEOC6H12+OH<=>NEOC6H11+H2O 3.00E+13 0.0 1230.0 Reverse Arrhenius coefficients: 9.80E+10 0.6 10480.02718. NEOC6H12+H<=>NEOC6H11+H2 3.70E+13 0.0 3900.0 Reverse Arrhenius coefficients: 1.14E+10 0.7 -1740.02719. NEOC6H12+CH3<=>NEOC6H11+CH4 1.00E+12 0.0 7300.0 Reverse Arrhenius coefficients: 2.80E+11 0.2 3200.02720. NEOC6H12+O<=>NEOC6H11+OH 4.34E+15 -0.7 36950.0 Reverse Arrhenius coefficients: 7.00E+11 0.0 29900.02721. NEOC6H12+OH<=>NEOC5H11+CH2O 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2722. NEOC6H12+O<=>NEOC5H11+HCO 1.00E+11 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2723. NEOC6H11<=>IC4H8+C2H3 4.79E+17 -1.2 29640.0 Reverse Arrhenius coefficients: 7.50E+10 0.0 10600.02724. FC6H13O2<=>FC6H13+O2 1.23E+20 -1.7 35760.0 Reverse Arrhenius coefficients: 1.24E+12 0.0 0.02725. GC6H13O2<=>GC6H13+O2 1.85E+23 -2.4 38080.0 Reverse Arrhenius coefficients: 5.24E+12 0.0 0.02726. HC6H13O2<=>HC6H13+O2 4.49E+20 -1.7 35760.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02727. FC6H13+FC6H13O2<=>FC6H13O+FC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.49E+13 -0.2 29820.02728. FC6H13+GC6H13O2<=>FC6H13O+GC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.59E+13 -0.1 29450.02729. FC6H13+HC6H13O2<=>FC6H13O+HC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.84E+13 -0.2 29820.02730. GC6H13+FC6H13O2<=>GC6H13O+FC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.19E+15 -0.8 31770.02731. GC6H13+GC6H13O2<=>GC6H13O+GC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.80E+15 -0.7 31400.02732. GC6H13+HC6H13O2<=>GC6H13O+HC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.07E+15 -0.8 31770.02733. HC6H13+FC6H13O2<=>HC6H13O+FC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.84E+13 -0.2 29820.02734. HC6H13+GC6H13O2<=>HC6H13O+GC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.64E+12 -0.1 29450.02735. HC6H13+HC6H13O2<=>HC6H13O+HC6H13O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.47E+12 -0.2 29820.02736. FC6H13+HO2<=>FC6H13O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.84E+15 -0.5 26120.02737. GC6H13+HO2<=>GC6H13O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.08E+17 -1.1 28070.02738. HC6H13+HO2<=>HC6H13O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.49E+14 -0.5 26120.02739. FC6H13+CH3O2<=>FC6H13O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.78E+14 -0.2 30360.02740. GC6H13+CH3O2<=>GC6H13O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.92E+16 -0.8 32310.02741. HC6H13+CH3O2<=>HC6H13O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.94E+13 -0.2 30360.02742. FC6H13O2<=>FC6H12OOH-F 7.50E+10 0.0 24400.0 Reverse Arrhenius coefficients: 2.77E+11 -0.6 9010.02743. FC6H13O2<=>FC6H12OOH-G 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 2.94E+09 -0.1 7870.02744. FC6H13O2<=>FC6H12OOH-H 4.69E+09 0.0 22350.0 Reverse Arrhenius coefficients: 1.73E+10 -0.6 6960.02745. GC6H13O2<=>GC6H12OOH-F 1.12E+11 0.0 24400.0 Reverse Arrhenius coefficients: 1.82E+11 -0.6 9040.02746. GC6H13O2<=>GC6H12OOH-H 3.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 1.46E+12 -0.6 14040.02747. HC6H13O2<=>HC6H12OOH-F 1.41E+10 0.0 22350.0 Reverse Arrhenius coefficients: 1.14E+10 -0.5 6900.02748. HC6H13O2<=>HC6H12OOH-G 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 1.94E+10 -0.1 13830.02749. GC6H13O2<=>NEOC6H12+HO2 5.07E+42 -9.4 41490.0 Reverse Arrhenius coefficients: 4.76E+32 -7.2 15650.02750. HC6H13O2<=>NEOC6H12+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 1.02E+30 -6.2 19470.02751. FC6H13O2+HO2<=>FC6H13O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.79E+13 -0.8 33620.02752. GC6H13O2+HO2<=>GC6H13O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.50E+13 -0.8 33640.02753. HC6H13O2+HO2<=>HC6H13O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.79E+13 -0.8 33620.02754. FC6H13O2+H2O2<=>FC6H13O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.02755. GC6H13O2+H2O2<=>GC6H13O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.02756. HC6H13O2+H2O2<=>HC6H13O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.02757. FC6H13O2+CH3O2<=>FC6H13O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2758. GC6H13O2+CH3O2<=>GC6H13O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2759. HC6H13O2+CH3O2<=>HC6H13O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2760. FC6H13O2+FC6H13O2<=>O2+FC6H13O+FC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2761. FC6H13O2+GC6H13O2<=>O2+FC6H13O+GC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2762. FC6H13O2+HC6H13O2<=>O2+FC6H13O+HC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2763. GC6H13O2+GC6H13O2<=>O2+GC6H13O+GC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2764. GC6H13O2+HC6H13O2<=>O2+GC6H13O+HC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00

SUPPLEMENTAL MATERIAL this reaction will be treated as irreversible2765. HC6H13O2+HC6H13O2<=>O2+HC6H13O+HC6H13O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2766. FC6H13O2H<=>FC6H13O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.89E+07 1.9 -6532.02767. GC6H13O2H<=>GC6H13O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 4.84E+06 2.0 -6922.02768. HC6H13O2H<=>HC6H13O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 6.30E+06 1.9 -6532.02769. FC6H13O<=>CH2O+BC5H11 1.07E+25 -3.2 23850.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02770. GC6H13O<=>CH3CHO+TC4H9 3.66E+26 -3.6 18480.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02771. HC6H13O<=>CH2O+NEOC5H11 1.98E+16 -0.9 23540.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.02772. GC6H12OOH-H<=>NEOC6H12+HO2 2.36E+22 -2.8 23940.0 Reverse Arrhenius coefficients: 4.56E+11 0.0 13460.02773. HC6H12OOH-G<=>NEOC6H12+HO2 2.19E+19 -2.0 21460.0 Reverse Arrhenius coefficients: 4.56E+11 0.0 13460.02774. FC6H12OOH-F<=>F-FC6H12O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2775. FC6H12OOH-G<=>F-GC6H12O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2776. FC6H12OOH-H<=>F-HC6H12O+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2777. GC6H12OOH-H<=>G-HC6H12O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2778. GC6H12OOH-F<=>F-GC6H12O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2779. HC6H12OOH-G<=>G-HC6H12O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2780. HC6H12OOH-F<=>F-HC6H12O+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2781. FC6H12OOH-F<=>OH+CH2O+AC5H10 4.95E+17 -1.1 28430.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2782. FC6H12OOH-G<=>OH+CH2O+BC5H10 6.79E+16 -1.0 28070.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2783. GC6H12OOH-F<=>OH+CH3CHO+IC4H8 4.75E+21 -2.4 27810.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2784. FC6H12OOH-H<=>IC4H8+C2H4+HO2 1.40E+22 -3.1 25850.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2785. FC6H12OOH-FO2<=>FC6H12OOH-F+O2 5.74E+19 -1.6 35650.0 Reverse Arrhenius coefficients: 1.24E+12 0.0 0.02786. FC6H12OOH-GO2<=>FC6H12OOH-G+O2 5.75E+22 -2.3 38010.0 Reverse Arrhenius coefficients: 5.24E+12 0.0 0.02787. FC6H12OOH-HO2<=>FC6H12OOH-H+O2 2.09E+20 -1.6 35650.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02788. GC6H12OOH-FO2<=>GC6H12OOH-F+O2 1.53E+19 -1.5 35570.0 Reverse Arrhenius coefficients: 1.24E+12 0.0 0.02789. GC6H12OOH-HO2<=>GC6H12OOH-H+O2 5.58E+19 -1.5 35570.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.02790. HC6H12OOH-FO2<=>HC6H12OOH-F+O2 8.71E+19 -1.6 35710.0 Reverse Arrhenius coefficients: 1.24E+12 0.0 0.02791. HC6H12OOH-GO2<=>HC6H12OOH-G+O2 6.98E+22 -2.3 38050.0 Reverse Arrhenius coefficients: 5.24E+12 0.0 0.02792. FC6H12OOH-FO2<=>NEOC6KETFF+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 1.04E+03 1.4 43730.02793. FC6H12OOH-GO2<=>NEOC6KETFG+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 3.27E+03 1.4 43790.02794. FC6H12OOH-HO2<=>NEOC6KETFH+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 2.60E+02 1.4 41680.02795. GC6H12OOH-FO2<=>NEOC6KETGF+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 1.34E+02 1.8 42900.02796. GC6H12OOH-HO2<=>NEOC6KETGH+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 4.69E+02 1.8 49020.02797. HC6H12OOH-FO2<=>NEOC6KETHF+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 1.62E+02 1.5 42670.02798. HC6H12OOH-GO2<=>NEOC6KETHG+OH 2.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 2.76E+04 1.3 48910.02799. F-FC6H12O+OH<=>IC5H10CHO-BA+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2800. F-GC6H12O+OH<=>IC5H10CHO-BC+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2801. F-HC6H12O+OH<=>TC4H8CH2CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2802. G-HC6H12O+OH<=>TC4H9CHCHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2803. F-FC6H12O+OH<=>AC5H9-A1+CH2O+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2804. F-GC6H12O+OH<=>TC4H8COCH3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2805. F-HC6H12O+OH<=>IC5H10CHO-BD+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2806. G-HC6H12O+OH<=>TC4H9COCH2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2807. F-FC6H12O+HO2<=>IC5H10CHO-BA+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2808. F-GC6H12O+HO2<=>IC5H10CHO-BC+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2809. F-HC6H12O+HO2<=>TC4H8CH2CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2810. G-HC6H12O+HO2<=>TC4H9CHCHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2811. F-FC6H12O+HO2<=>AC5H9-A1+CH2O+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2812. F-GC6H12O+HO2<=>TC4H8COCH3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2813. F-HC6H12O+HO2<=>IC5H10CHO-BD+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2814. G-HC6H12O+HO2<=>TC4H9COCH2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2815. NEOC6KETFF<=>CH2O+C4H8CHO2-2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2816. NEOC6KETFG<=>CH3CHO+TC3H6CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2817. NEOC6KETFH<=>CH2O+TC4H8CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2818. NEOC6KETGF<=>CH2O+TC3H6COCH3+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2819. NEOC6KETGH<=>CH2O+TC4H9CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2820. NEOC6KETHF<=>CH2O+TC3H6CH2CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2821. NEOC6KETHG<=>TC4H9CHO+HCO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2822. NEOC6H12OH<=>NEOC6H12+OH 8.74E+14 -0.6 28620.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.02823. NEOO2C6H12OH<=>NEOC6H12OH+O2 1.62E+21 -1.9 37740.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.02824. NEOO2C6H12OH<=>TC4H9CHO+CH2O+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2825. TC4H9CHO+HO2<=>TC4H9CO+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 3.85E+12 -0.3 12000.02826. TC4H9CHO+CH3<=>TC4H9CO+CH4 3.98E+12 0.0 8700.0 Reverse Arrhenius coefficients: 1.56E+13 0.0 25570.02827. TC4H9CHO+O<=>TC4H9CO+OH 7.18E+12 0.0 1389.0 Reverse Arrhenius coefficients: 4.73E+11 0.0 15680.02828. TC4H9CHO+O2<=>TC4H9CO+HO2 4.00E+13 0.0 37600.0 Reverse Arrhenius coefficients: 1.09E+11 0.3 -3492.02829. TC4H9CHO+OH<=>TC4H9CO+H2O 2.69E+10 0.8 -340.0 Reverse Arrhenius coefficients: 1.75E+10 0.8 31200.02830. TC4H9CO<=>TC4H9+CO 2.52E+23 -2.9 13490.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.02831. TC4H9CHO+OH<=>TC4H8CHO+H2O 2.29E+08 1.5 775.0 Reverse Arrhenius coefficients: 7.78E+06 1.5 20210.02832. TC4H9CHO+H<=>TC4H8CHO+H2 1.81E+06 2.5 6756.0 Reverse Arrhenius coefficients: 1.42E+04 2.5 11040.02833. TC4H9CHO+HO2<=>TC4H8CHO+H2O2 3.01E+04 2.5 15500.0 Reverse Arrhenius coefficients: 6.07E+03 2.2 3472.02834. TC4H9CHO+CH3<=>TC4H8CHO+CH4 1.36E+00 3.6 7154.0 Reverse Arrhenius coefficients: 2.79E-01 3.6 11910.02835. TC4H9CHO+CH3O<=>TC4H8CHO+CH3OH 4.82E+11 0.0 7313.0 Reverse Arrhenius coefficients: 1.82E+09 0.0 9863.02836. TC4H9CHO+CH3O2<=>TC4H8CHO+CH3O2H 3.01E+04 2.5 15500.0 Reverse Arrhenius coefficients: 2.49E+04 2.0 2752.02837. NEOC5H11CHO+OH<=>NEOC5H11CO+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.08E+12 0.0 30920.02838. NEOC5H11CHO+OH<=>TC4H9CHCHO+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 1.25E+09 1.3 28870.02839. NEOC5H11CHO+OH<=>TC4H8CH2CHO+H2O 1.29E+10 1.1 1810.0 Reverse Arrhenius coefficients: 2.47E+09 1.1 21240.02840. NEOC5H11CHO+HO2<=>NEOC5H11CO+H2O2 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.02E+13 -0.3 13670.02841. NEOC5H11CHO+HO2<=>TC4H9CHCHO+H2O2 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 1.27E+13 -0.6 9362.02842. NEOC5H11CHO+HO2<=>TC4H8CH2CHO+H2O2 1.68E+13 0.0 19400.0 Reverse Arrhenius coefficients: 1.91E+13 -0.3 7362.02843. NEOC5H11CHO+CH3O2<=>NEOC5H11CO+CH3O2H 1.00E+12 0.0 9500.0 Reverse Arrhenius coefficients: 1.50E+13 -0.5 8852.02844. NEOC5H11CHO+CH3O2<=>TC4H9CHCHO+CH3O2H 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 5.22E+13 -0.8 8642.02845. NEOC5H11CHO+CH3O2<=>TC4H8CH2CHO+CH3O2H 1.68E+13 0.0 19400.0 Reverse Arrhenius coefficients: 7.85E+13 -0.5 6642.02846. NEOC5H11CO<=>NEOC5H11+CO 2.43E+17 -1.3 13440.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.02847. NEOC5H11CO<=>TC4H9+CH2CO 3.66E+16 -1.0 34870.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.02848. TC4H9CHCHO<=>IC3H6CHCHO+CH3 2.28E+17 -1.1 31770.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02849. TC4H8CH2CHO<=>IC4H8+CH2CHO 6.61E+19 -2.2 28090.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12600.02850. TC4H8CH2CHO<=>IC4H7CHO+CH3 1.67E+17 -1.2 34510.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12600.02851. IC4H7CHO+OH<=>IC4H7CO+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.19E+12 0.0 30930.02852. IC4H7CHO+OH<=>AC3H4CH2CHO+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 3.62E+08 1.4 32400.0

SUPPLEMENTAL MATERIAL2853. IC4H7CHO+OH<=>IC3H5CHCHO+H2O 4.24E+06 2.0 -298.0 Reverse Arrhenius coefficients: 1.59E+08 1.8 34910.02854. IC4H7CHO+HO2<=>IC4H7CO+H2O2 3.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.16E+13 -0.3 12000.02855. IC4H7CHO+HO2<=>AC3H4CH2CHO+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 6.64E+06 1.7 15140.02856. IC4H7CHO+HO2<=>IC3H5CHCHO+H2O2 9.64E+03 2.6 12510.0 Reverse Arrhenius coefficients: 2.15E+06 2.1 16260.02857. IC4H7CHO+CH3O2<=>IC4H7CO+CH3O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 2.17E+13 -0.5 10450.02858. IC4H7CHO+CH3O2<=>AC3H4CH2CHO+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 5.63E+15 -1.1 17560.02859. IC4H7CHO+CH3O2<=>IC3H5CHCHO+CH3O2H 1.99E+12 0.0 15950.0 Reverse Arrhenius coefficients: 1.82E+15 -0.7 18980.02860. IC4H7CO<=>IC4H7+CO 1.11E+17 -1.3 12230.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.02861. IC4H7CO<=>C3H5-T+CH2CO 1.81E+16 -1.0 47260.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8600.02862. AC3H4CH2CHO<=>C3H4-A+CH2CHO 4.13E+20 -2.4 52470.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02863. IC3H5CHCHO+HO2<=>IC3H5CHO+HCO+OH 8.91E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2864. IC5H11CHO-B+OH<=>IC5H11CO-B+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.18E+12 0.0 30930.02865. IC5H11CHO-B+OH<=>IC5H10CHO-BA+H2O 1.53E+08 1.5 8775.0 Reverse Arrhenius coefficients: 2.69E+07 1.5 28190.02866. IC5H11CHO-B+OH<=>IC5H10CHO-BC+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 3.87E+05 2.0 21840.02867. IC5H11CHO-B+OH<=>IC5H10CHO-BD+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 9.27E+08 1.0 21000.02868. IC5H11CHO-B+HO2<=>IC5H11CO-B+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 3.85E+12 -0.3 12000.02869. IC5H11CHO-B+HO2<=>IC5H10CHO-BA+H2O2 5.52E+04 2.5 16480.0 Reverse Arrhenius coefficients: 5.76E+04 2.2 4432.02870. IC5H11CHO-B+HO2<=>IC5H10CHO-BC+H2O2 2.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.22E+03 2.7 4322.02871. IC5H11CHO-B+HO2<=>IC5H10CHO-BD+H2O2 2.76E+04 2.5 16480.0 Reverse Arrhenius coefficients: 2.88E+04 2.2 4432.02872. IC5H11CHO-B+CH3O2<=>IC5H11CO-B+CH3O2H 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.58E+13 -0.5 11280.02873. IC5H11CHO-B+CH3O2<=>IC5H10CHO-BA+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.04E+05 2.1 3726.02874. IC5H11CHO-B+CH3O2<=>IC5H10CHO-BC+CH3O2H 1.77E+12 0.0 17050.0 Reverse Arrhenius coefficients: 3.58E+11 -0.1 6744.02875. IC5H11CHO-B+CH3O2<=>IC5H10CHO-BD+CH3O2H 6.03E+12 0.0 19380.0 Reverse Arrhenius coefficients: 2.59E+13 -0.5 6607.02876. IC5H11CO-B<=>BC5H11+CO 1.04E+18 -1.4 9078.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.02877. IC5H11CO-B<=>IC3H6CO+C2H5 3.78E+21 -2.2 39070.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02878. IC5H10CHO-BA<=>AC5H10+HCO 5.48E+18 -1.6 25600.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02879. IC5H10CHO-BA<=>IC3H5CHO+C2H5 1.55E+19 -1.7 26620.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02880. IC5H10CHO-BA<=>C4H7CHO1-2+CH3 1.95E+15 -0.7 25810.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02881. IC5H10CHO-BC<=>BC5H10+HCO 7.37E+17 -1.5 25700.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11200.02882. IC5H10CHO-BC<=>C4H7CHO2-2+CH3 1.13E+16 0.4 21300.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02883. IC5H10CHO-BD<=>TC3H6CHO+C2H4 5.81E+18 -1.9 24890.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 11200.02884. C4H7CHO1-2+OH<=>C4H7CO1-2+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 5.83E+12 0.0 36810.02885. C4H7CHO1-2+OH<=>C4H6CHO1-23+H2O 3.62E+07 1.6 -247.0 Reverse Arrhenius coefficients: 1.51E+09 1.4 34980.02886. C4H7CHO1-2+OH<=>C4H6CHO1-24+H2O 2.06E+07 1.7 753.0 Reverse Arrhenius coefficients: 4.30E+06 1.7 20190.02887. C4H7CHO1-2+HO2<=>C4H7CO1-2+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.03E+13 -0.3 17880.02888. C4H7CHO1-2+HO2<=>C4H6CHO1-23+H2O2 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.39E+15 -0.6 21460.02889. C4H7CHO1-2+HO2<=>C4H6CHO1-24+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.95E+04 2.2 4462.02890. C4H7CHO1-2+CH3O2<=>C4H7CO1-2+CH3O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.18E+14 -0.5 18840.02891. C4H7CHO1-2+CH3O2<=>C4H6CHO1-23+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 2.03E+15 -0.7 20090.02892. C4H7CHO1-2+CH3O2<=>C4H6CHO1-24+CH3O2H 3.01E+12 0.0 19380.0 Reverse Arrhenius coefficients: 1.53E+13 -0.5 6627.02893. C4H7CO1-2<=>C4H71-2+CO 2.12E+22 -2.5 37340.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.02894. C4H6CHO1-23<=>CH2CCHCH3+HCO 8.68E+15 -0.5 55040.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.02895. C4H6CHO1-24<=>C2H4+CH2CCHO 6.40E+18 -1.7 41090.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 8600.02896. C4H7CHO2-2+OH<=>C4H7CO2-2+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 5.59E+12 0.0 36800.02897. C4H7CHO2-2+OH<=>C4H6CHO2-21+H2O 8.42E+11 0.0 -781.0 Reverse Arrhenius coefficients: 1.78E+14 -0.6 31980.02898. C4H7CHO2-2+OH<=>C4H6CHO2-24+H2O 8.42E+11 0.0 -781.0 Reverse Arrhenius coefficients: 1.78E+14 -0.6 31980.02899. C4H7CHO2-2+OH<=>CH3CHO+CH3CHCHO 1.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 8.91E+07 2.1 13480.02900. C4H7CHO2-2+HO2<=>C4H7CO2-2+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 9.84E+12 -0.3 17880.02901. C4H7CHO2-2+HO2<=>C4H6CHO2-21+H2O2 1.00E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.25E+07 1.6 16800.02902. C4H7CHO2-2+HO2<=>C4H6CHO2-24+H2O2 1.00E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.25E+07 1.6 16800.02903. C4H7CHO2-2+HO2<=>CH3CHO+C2H3CHO+OH 6.03E+09 0.0 7949.0 Reverse Arrhenius coefficients: 1.00E+00 0.0 0.02904. C4H7CHO2-2+CH3O2<=>C4H7CO2-2+CH3O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.13E+14 -0.5 18840.02905. C4H7CHO2-2+CH3O2<=>C4H6CHO2-21+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.23E+08 1.4 17070.02906. C4H7CHO2-2+CH3O2<=>C4H6CHO2-24+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.23E+08 1.4 17070.02907. C4H7CHO2-2+CH3O2<=>CH3CHO+CH3CHCO+CH3O 3.97E+11 0.0 17050.0 Reverse Arrhenius coefficients: 1.00E+00 0.0 0.02908. C4H7CO2-2<=>C4H72-2+CO 4.68E+20 -3.4 41360.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.02909. C4H6CHO2-21<=>CH2CCHCH3+HCO 4.00E+14 0.0 13300.0 Reverse Arrhenius coefficients: 3.48E+10 0.6 13820.02910. C4H6CHO2-24<=>CH2CCHCH3+HCO 2.85E+14 -1.6 60540.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 11600.02911. TC4H9COCH3+OH<=>TC4H9COCH2+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 6.15E+13 -0.7 27660.02912. TC4H9COCH3+OH<=>TC4H8COCH3+H2O 2.29E+08 1.5 775.0 Reverse Arrhenius coefficients: 4.68E+07 1.5 20210.02913. TC4H9COCH3+HO2<=>TC4H9COCH2+H2O2 2.38E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.70E+07 1.5 10500.02914. TC4H9COCH3+HO2<=>TC4H8COCH3+H2O2 3.01E+04 2.5 15500.0 Reverse Arrhenius coefficients: 3.66E+04 2.2 3472.02915. TC4H9COCH3+CH3O2<=>TC4H9COCH2+CH3O2H 3.01E+13 0.0 17580.0 Reverse Arrhenius coefficients: 8.85E+16 -1.2 11860.02916. TC4H9COCH3+CH3O2<=>TC4H8COCH3+CH3O2H 3.01E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.50E+05 2.0 2752.02917. TC4H9COCH2<=>TC4H9+CH2CO 1.52E+19 -1.7 36770.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 9600.02918. TC4H8COCH3<=>IC4H8+CH3CO 1.38E+22 -2.6 27450.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 10600.02919. CH2CCHO+OH<=>CH3CO+HCO 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.26E+10 0.5 39310.02920. CH2CCHO+HO2<=>CH2CO+HCO+OH 6.03E+09 0.0 7949.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2921. CH2CCHO+CH3O2<=>CH2CO+HCO+CH3O 3.97E+11 0.0 17050.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible2922. IC3H6CHCHO+OH<=>IC3H6CHCO+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 5.78E+12 0.0 36810.02923. IC3H6CHCHO+OH<=>AC3H5CHCHO+H2O 1.53E+08 1.5 8775.0 Reverse Arrhenius coefficients: 1.91E+10 1.0 41490.02924. IC3H6CHCHO+OH<=>TC3H6CHO+CH2O 1.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 1.39E+11 0.1 16080.02925. NEOC7H16<=>NC7H15+H 2.02E+17 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.02926. NEOC7H16<=>OC7H15+H 1.04E+18 -0.7 98710.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.02927. NEOC7H16<=>PC7H15+H 1.04E+18 -0.7 98710.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.02928. NEOC7H16<=>QC7H15+H 6.73E+16 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.02929. NEOC7H16<=>BC6H13+CH3 4.75E+26 -2.8 87840.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.02930. NEOC7H16<=>HC6H13+CH3 1.75E+22 -1.8 89280.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.02931. NEOC7H16<=>NEOC5H11+C2H5 5.10E+19 -0.9 87030.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.02932. NEOC7H16<=>TC4H9+NC3H7 1.07E+28 -3.2 87260.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.02933. NEOC7H16+H<=>NC7H15+H2 9.79E+05 2.8 8147.0 Reverse Arrhenius coefficients: 7.00E+01 3.4 10490.02934. NEOC7H16+H<=>OC7H15+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.80E+01 3.4 9324.02935. NEOC7H16+H<=>PC7H15+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.80E+01 3.4 9324.02936. NEOC7H16+H<=>QC7H15+H2 9.40E+04 2.8 6280.0 Reverse Arrhenius coefficients: 2.01E+01 3.4 8621.02937. NEOC7H16+CH3<=>NC7H15+CH4 1.36E+00 3.6 7154.0 Reverse Arrhenius coefficients: 8.85E-02 3.8 11040.02938. NEOC7H16+CH3<=>OC7H15+CH4 8.40E+04 2.1 7574.0 Reverse Arrhenius coefficients: 1.06E+03 2.7 13970.02939. NEOC7H16+CH3<=>PC7H15+CH4 8.40E+04 2.1 7574.0 Reverse Arrhenius coefficients: 1.06E+03 2.7 13970.02940. NEOC7H16+CH3<=>QC7H15+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 8.84E-02 3.8 11040.02941. NEOC7H16+C2H5<=>NC7H15+C2H6 1.50E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.02942. NEOC7H16+C2H5<=>OC7H15+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.02943. NEOC7H16+C2H5<=>PC7H15+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.02944. NEOC7H16+C2H5<=>QC7H15+C2H6 5.00E+10 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.02945. NEOC7H16+NC7H15<=>OC7H15+NEOC7H16 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 2.25E+11 0.0 12300.02946. NEOC7H16+NC7H15<=>PC7H15+NEOC7H16 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 2.25E+11 0.0 12300.02947. NEOC7H16+NC7H15<=>QC7H15+NEOC7H16 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 2.25E+11 0.0 12300.02948. NEOC7H16+OC7H15<=>PC7H15+NEOC7H16 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 10400.02949. NEOC7H16+OC7H15<=>QC7H15+NEOC7H16 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 10400.02950. NEOC7H16+PC7H15<=>QC7H15+NEOC7H16 7.50E+10 0.0 12300.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 10400.02951. NEOC7H16+O<=>NC7H15+OH 4.05E+07 2.0 5136.0 Reverse Arrhenius coefficients: 1.52E+03 2.6 6065.02952. NEOC7H16+O<=>OC7H15+OH 5.95E+05 2.4 2846.0 Reverse Arrhenius coefficients: 4.32E+00 3.4 6287.02953. NEOC7H16+O<=>PC7H15+OH 5.95E+05 2.4 2846.0 Reverse Arrhenius coefficients: 4.32E+00 3.4 6287.02954. NEOC7H16+O<=>QC7H15+OH 1.05E+06 2.4 4766.0 Reverse Arrhenius coefficients: 1.18E+02 3.0 5695.02955. NEOC7H16+OH<=>NC7H15+H2O 2.37E+07 1.8 298.1 Reverse Arrhenius coefficients: 1.80E+04 2.3 17530.02956. NEOC7H16+OH<=>OC7H15+H2O 4.68E+07 1.6 -35.0 Reverse Arrhenius coefficients: 6.89E+03 2.5 19710.02957. NEOC7H16+OH<=>PC7H15+H2O 4.68E+07 1.6 -35.0 Reverse Arrhenius coefficients: 6.89E+03 2.5 19710.0

SUPPLEMENTAL MATERIAL2958. NEOC7H16+OH<=>QC7H15+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.20E+07 1.5 18820.02959. NEOC7H16+HO2<=>NC7H15+H2O2 8.10E+04 2.5 16680.0 Reverse Arrhenius coefficients: 3.35E+03 2.4 3021.02960. NEOC7H16+HO2<=>OC7H15+H2O2 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 4.71E+02 2.8 3715.02961. NEOC7H16+HO2<=>PC7H15+H2O2 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 4.71E+02 2.8 3715.02962. NEOC7H16+HO2<=>QC7H15+H2O2 4.05E+04 2.5 16690.0 Reverse Arrhenius coefficients: 5.02E+03 2.4 3031.02963. NEOC7H16+CH3O<=>NC7H15+CH3OH 4.80E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.02964. NEOC7H16+CH3O<=>OC7H15+CH3OH 1.10E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.90E+09 0.0 7200.02965. NEOC7H16+CH3O<=>PC7H15+CH3OH 1.10E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.90E+09 0.0 7200.02966. NEOC7H16+CH3O<=>QC7H15+CH3OH 1.60E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.02967. NEOC7H16+O2<=>NC7H15+HO2 6.30E+13 0.0 52800.0 Reverse Arrhenius coefficients: 2.36E+10 0.3 457.02968. NEOC7H16+O2<=>OC7H15+HO2 1.40E+13 0.0 50160.0 Reverse Arrhenius coefficients: 1.02E+09 0.6 319.02969. NEOC7H16+O2<=>PC7H15+HO2 1.40E+13 0.0 50160.0 Reverse Arrhenius coefficients: 1.02E+09 0.6 319.02970. NEOC7H16+O2<=>QC7H15+HO2 2.10E+13 0.0 52800.0 Reverse Arrhenius coefficients: 2.36E+10 0.3 457.02971. NEOC7H16+C2H3<=>NC7H15+C2H4 1.50E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.60E+12 0.0 25400.02972. NEOC7H16+C2H3<=>OC7H15+C2H4 4.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.02973. NEOC7H16+C2H3<=>PC7H15+C2H4 4.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.02974. NEOC7H16+C2H3<=>QC7H15+C2H4 5.00E+11 0.0 18000.0 Reverse Arrhenius coefficients: 2.60E+12 0.0 25400.02975. NEOC7H16+CH3O2<=>NC7H15+CH3O2H 8.10E+04 2.5 16680.0 Reverse Arrhenius coefficients: 6.52E+04 2.0 1426.02976. NEOC7H16+CH3O2<=>OC7H15+CH3O2H 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 9.17E+03 2.3 2120.02977. NEOC7H16+CH3O2<=>PC7H15+CH3O2H 5.88E+04 2.5 14860.0 Reverse Arrhenius coefficients: 9.17E+03 2.3 2120.02978. NEOC7H16+CH3O2<=>QC7H15+CH3O2H 4.05E+04 2.5 16690.0 Reverse Arrhenius coefficients: 9.77E+04 2.0 1436.02979. NEOC7H16+NC7H15O2<=>NC7H15+NC7H15O2H 2.52E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02980. NEOC7H16+OC7H15O2<=>NC7H15+OC7H15O2H 2.52E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02981. NEOC7H16+PC7H15O2<=>NC7H15+PC7H15O2H 2.52E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02982. NEOC7H16+QC7H15O2<=>NC7H15+QC7H15O2H 2.52E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02983. NEOC7H16+NC7H15O2<=>OC7H15+NC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02984. NEOC7H16+OC7H15O2<=>OC7H15+OC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02985. NEOC7H16+PC7H15O2<=>OC7H15+PC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02986. NEOC7H16+QC7H15O2<=>OC7H15+QC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02987. NEOC7H16+NC7H15O2<=>PC7H15+NC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02988. NEOC7H16+OC7H15O2<=>PC7H15+OC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02989. NEOC7H16+PC7H15O2<=>PC7H15+PC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02990. NEOC7H16+QC7H15O2<=>PC7H15+QC7H15O2H 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02991. NEOC7H16+NC7H15O2<=>QC7H15+NC7H15O2H 8.40E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02992. NEOC7H16+OC7H15O2<=>QC7H15+OC7H15O2H 8.40E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02993. NEOC7H16+PC7H15O2<=>QC7H15+PC7H15O2H 8.40E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02994. NEOC7H16+QC7H15O2<=>QC7H15+QC7H15O2H 8.40E+12 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.02995. NEOC7H16+O2CHO<=>NC7H15+HO2CHO 2.52E+13 0.0 20440.0 Reverse Arrhenius coefficients: 5.74E+02 2.3 3066.02996. NEOC7H16+O2CHO<=>OC7H15+HO2CHO 5.60E+12 0.0 17690.0 Reverse Arrhenius coefficients: 2.47E+01 2.6 2829.02997. NEOC7H16+O2CHO<=>PC7H15+HO2CHO 5.60E+12 0.0 17690.0 Reverse Arrhenius coefficients: 2.47E+01 2.6 2829.02998. NEOC7H16+O2CHO<=>QC7H15+HO2CHO 8.40E+12 0.0 20440.0 Reverse Arrhenius coefficients: 5.74E+02 2.3 3066.02999. NC7H15<=>IC4H8+NC3H7 7.64E+22 -2.6 32570.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 10600.03000. NC7H15<=>AC6H12+CH3 1.25E+21 -2.2 34280.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 10600.03001. OC7H15<=>BC6H12+CH3 4.96E+20 -2.0 33920.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 10600.03002. OC7H15<=>NEOC6H12+CH3 2.37E+17 -1.4 32500.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 7200.03003. OC7H15<=>OC7H14+H 3.33E+13 -0.1 36260.0 Reverse Arrhenius coefficients: 2.60E+13 0.0 2500.03004. PC7H15<=>TC4H9+C3H6 2.31E+23 -2.8 29340.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 7200.03005. PC7H15<=>PC7H14+H 1.53E+13 0.1 36810.0 Reverse Arrhenius coefficients: 2.60E+13 0.0 1200.03006. PC7H15<=>OC7H14+H 1.28E+13 -0.1 36260.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2500.03007. QC7H15<=>C2H4+NEOC5H11 4.06E+15 -0.6 29100.0 Reverse Arrhenius coefficients: 3.30E+11 0.0 7200.03008. QC7H15<=>PC7H14+H 2.36E+14 -0.2 35600.0 Reverse Arrhenius coefficients: 2.60E+13 0.0 2500.03009. OC7H15+O2<=>OC7H14+HO2 3.00E-29 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-29 0.0 17500.03010. PC7H15+O2<=>OC7H14+HO2 3.00E-29 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-29 0.0 17500.03011. PC7H15+O2<=>PC7H14+HO2 4.50E-29 0.0 5020.0 Reverse Arrhenius coefficients: 2.00E-29 0.0 17500.03012. QC7H15+O2<=>PC7H14+HO2 3.00E-29 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-29 0.0 17500.03013. NC7H15<=>PC7H15 2.00E+11 0.0 18100.0 Reverse Arrhenius coefficients: 9.00E+11 0.0 21100.03014. NC7H15<=>QC7H15 3.00E+11 0.0 14100.0 Reverse Arrhenius coefficients: 9.00E+11 0.0 14100.03015. NC7H15+HO2<=>NC7H15O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.34E+15 -0.6 25950.03016. OC7H15+HO2<=>OC7H15O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.08E+17 -1.1 27860.03017. PC7H15+HO2<=>PC7H15O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.08E+17 -1.1 27860.03018. QC7H15+HO2<=>QC7H15O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.34E+15 -0.6 25950.03019. NC7H15+CH3O2<=>NC7H15O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.09E+14 -0.3 30190.03020. OC7H15+CH3O2<=>OC7H15O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.93E+16 -0.8 32100.03021. PC7H15+CH3O2<=>PC7H15O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.93E+16 -0.8 32100.03022. QC7H15+CH3O2<=>QC7H15O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.09E+14 -0.3 30190.03023. PC7H14<=>TC4H9+C3H5-A 1.86E+27 -3.4 74280.0 Reverse Arrhenius coefficients: 7.22E+14 -0.8 -131.03024. OC7H14<=>CC6H11-B+CH3 3.09E+24 -2.5 74100.0 Reverse Arrhenius coefficients: 1.02E+14 -0.3 -131.03025. OC7H14+OH<=>C2H5CHO+TC4H9 2.00E+10 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3026. OC7H14+OH<=>NEOC5H11+CH3CHO 2.00E+10 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3027. PC7H14+OH<=>NEOC5H11+CH3CHO 2.00E+10 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3028. PC7H14+OH<=>CH2O+HC6H13 2.00E+10 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3029. OC7H14+O<=>TC4H9+HCO+C2H4 2.00E+10 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3030. PC7H14+O<=>CH2O+NEOC6H12 2.00E+10 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3031. OC7H14+H<=>OC7H13-N+H2 2.00E+06 2.5 6756.0 Reverse Arrhenius coefficients: 3.10E+04 2.5 11120.03032. OC7H14+H<=>PC7H13-O+H2 1.73E+04 2.5 2492.0 Reverse Arrhenius coefficients: 4.86E+05 2.1 20850.03033. OC7H14+OH<=>OC7H13-N+H2O 1.58E+10 1.0 1586.0 Reverse Arrhenius coefficients: 1.06E+09 1.0 21100.03034. OC7H14+OH<=>PC7H13-O+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 3.80E+08 1.6 33220.03035. PC7H14+H<=>PC7H13-N+H2 2.00E+06 2.5 6756.0 Reverse Arrhenius coefficients: 3.09E+04 2.5 11120.03036. PC7H14+H<=>PC7H13-O+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 4.35E+06 2.1 20420.03037. PC7H14+OH<=>PC7H13-N+H2O 1.58E+10 1.0 1586.0 Reverse Arrhenius coefficients: 1.06E+09 1.0 21100.03038. PC7H14+OH<=>PC7H13-O+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 1.54E+06 2.4 33450.03039. OC7H13-N<=>IC4H8+C3H5-S 3.48E+21 -2.4 44670.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03040. PC7H13-N<=>IC4H8+C3H5-A 4.89E+19 -2.1 19390.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03041. PC7H13-O<=>PC7H13-N 4.17E+11 0.0 26400.0 Reverse Arrhenius coefficients: 5.01E+08 0.2 10550.03042. PC7H13-O+HO2<=>PC7H13O-O+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 8.72E+15 -1.1 15690.03043. PC7H13-O+CH3O2<=>PC7H13O-O+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 8.52E+17 -1.7 20450.03044. PC7H13-O+C2H5O2<=>PC7H13O-O+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 5.58E+14 -0.8 18290.03045. PC7H13O-O<=>C2H3CHO+TC4H9 4.56E+21 -2.3 7565.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.03046. PC7H13O-O<=>TC4H9CHO+C2H3 8.53E+17 -1.5 24330.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.03047. NC7H15O2<=>NC7H15+O2 1.48E+20 -1.7 35790.0 Reverse Arrhenius coefficients: 1.24E+12 0.0 0.03048. OC7H15O2<=>OC7H15+O2 2.76E+22 -2.4 38110.0 Reverse Arrhenius coefficients: 1.25E+12 0.0 0.03049. PC7H15O2<=>PC7H15+O2 2.76E+22 -2.4 38110.0 Reverse Arrhenius coefficients: 1.25E+12 0.0 0.03050. QC7H15O2<=>QC7H15+O2 5.41E+20 -1.7 35790.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03051. NC7H15+NC7H15O2<=>NC7H15O+NC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.74E+13 -0.2 29430.03052. NC7H15+OC7H15O2<=>NC7H15O+OC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.88E+13 -0.1 29030.03053. NC7H15+PC7H15O2<=>NC7H15O+PC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.88E+13 -0.1 29030.03054. NC7H15+QC7H15O2<=>NC7H15O+QC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.74E+13 -0.2 29430.03055. OC7H15+NC7H15O2<=>OC7H15O+NC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.99E+15 -0.8 31350.03056. OC7H15+OC7H15O2<=>OC7H15O+OC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.50E+15 -0.7 30950.03057. OC7H15+PC7H15O2<=>OC7H15O+PC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.50E+15 -0.7 30950.03058. OC7H15+QC7H15O2<=>OC7H15O+QC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.99E+15 -0.8 31350.03059. PC7H15+NC7H15O2<=>PC7H15O+NC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.99E+15 -0.8 31350.03060. PC7H15+OC7H15O2<=>PC7H15O+OC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.50E+15 -0.7 30950.03061. PC7H15+PC7H15O2<=>PC7H15O+PC7H15O 7.00E+12 0.0 -1000.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 4.50E+15 -0.7 30950.03062. PC7H15+QC7H15O2<=>PC7H15O+QC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.99E+15 -0.8 31350.03063. QC7H15+NC7H15O2<=>QC7H15O+NC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.74E+13 -0.2 29430.03064. QC7H15+OC7H15O2<=>QC7H15O+OC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.87E+13 -0.1 29030.03065. QC7H15+PC7H15O2<=>QC7H15O+PC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.87E+13 -0.1 29030.03066. QC7H15+QC7H15O2<=>QC7H15O+QC7H15O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.74E+13 -0.2 29430.03067. NC7H15O2+HO2<=>NC7H15O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.74E+13 -0.8 33610.03068. OC7H15O2+HO2<=>OC7H15O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.53E+13 -0.8 33640.03069. PC7H15O2+HO2<=>PC7H15O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.53E+13 -0.8 33640.03070. QC7H15O2+HO2<=>QC7H15O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.74E+13 -0.8 33610.03071. NC7H15O2+H2O2<=>NC7H15O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03072. OC7H15O2+H2O2<=>OC7H15O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03073. PC7H15O2+H2O2<=>PC7H15O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03074. QC7H15O2+H2O2<=>QC7H15O2H+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03075. NC7H15O2+CH3O2<=>NC7H15O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3076. OC7H15O2+CH3O2<=>OC7H15O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3077. PC7H15O2+CH3O2<=>PC7H15O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3078. QC7H15O2+CH3O2<=>QC7H15O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3079. NC7H15O2+NC7H15O2<=>O2+NC7H15O+NC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3080. NC7H15O2+OC7H15O2<=>O2+NC7H15O+OC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3081. NC7H15O2+PC7H15O2<=>O2+NC7H15O+PC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3082. NC7H15O2+QC7H15O2<=>O2+NC7H15O+QC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3083. OC7H15O2+OC7H15O2<=>O2+OC7H15O+OC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3084. OC7H15O2+PC7H15O2<=>O2+OC7H15O+PC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3085. OC7H15O2+QC7H15O2<=>O2+OC7H15O+QC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3086. PC7H15O2+PC7H15O2<=>O2+PC7H15O+PC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3087. PC7H15O2+QC7H15O2<=>O2+PC7H15O+QC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3088. QC7H15O2+QC7H15O2<=>O2+QC7H15O+QC7H15O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3089. NC7H15O2H<=>NC7H15O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.86E+07 1.9 -6732.03090. OC7H15O2H<=>OC7H15O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 7.71E+06 2.1 -7162.03091. PC7H15O2H<=>PC7H15O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 7.71E+06 2.1 -7162.03092. QC7H15O2H<=>QC7H15O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.86E+07 1.9 -6732.03093. NC7H15O<=>CH2O+BC6H13 5.31E+24 -3.3 23120.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 11900.03094. OC7H15O<=>C2H5CHO+TC4H9 6.38E+21 -2.2 18140.0 Reverse Arrhenius coefficients: 6.25E+10 0.0 12900.03095. OC7H15O<=>C2H5+TC4H9CHO 9.79E+21 -2.5 22720.0 Reverse Arrhenius coefficients: 8.50E+10 0.0 12900.03096. PC7H15O<=>CH3CHO+NEOC5H11 7.50E+17 -1.3 18870.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 12900.03097. QC7H15O<=>CH2O+HC6H13 5.86E+20 -2.3 24560.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 11900.03098. NC7H15O2<=>NC7H14OOH-N2 7.50E+10 0.0 24400.0 Reverse Arrhenius coefficients: 1.83E+11 -0.5 8940.03099. NC7H15O2<=>NC7H14OOH-O 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 2.34E+09 -0.1 7830.03100. NC7H15O2<=>NC7H14OOH-P 3.12E+09 0.0 19050.0 Reverse Arrhenius coefficients: 2.92E+08 -0.1 6030.03101. NC7H15O2<=>NC7H14OOH-Q 5.86E+08 0.0 25550.0 Reverse Arrhenius coefficients: 1.43E+09 -0.5 10090.03102. OC7H15O2<=>OC7H14OOH-N 1.12E+11 0.0 24400.0 Reverse Arrhenius coefficients: 1.05E+11 -0.5 8960.03103. OC7H15O2<=>OC7H14OOH-P 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 1.46E+10 -0.1 13800.03104. OC7H15O2<=>OC7H14OOH-Q 3.75E+10 0.0 24400.0 Reverse Arrhenius coefficients: 1.05E+11 -0.5 8960.03105. PC7H15O2<=>PC7H14OOH-N 1.41E+10 0.0 22350.0 Reverse Arrhenius coefficients: 1.31E+10 -0.5 6910.03106. PC7H15O2<=>PC7H14OOH-O 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 1.46E+10 -0.1 13800.03107. PC7H15O2<=>PC7H14OOH-Q 3.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 8.37E+11 -0.5 13960.03108. QC7H15O2<=>QC7H14OOH-N 1.76E+09 0.0 25550.0 Reverse Arrhenius coefficients: 1.43E+09 -0.5 10090.03109. QC7H15O2<=>QC7H14OOH-O 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 2.33E+09 -0.1 7830.03110. QC7H15O2<=>QC7H14OOH-P 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 1.87E+10 -0.1 13830.03111. OC7H15O2<=>OC7H14+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 3.74E+28 -5.7 17490.03112. PC7H15O2<=>OC7H14+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 3.74E+28 -5.7 17490.03113. PC7H15O2<=>PC7H14+HO2 5.07E+42 -9.4 41490.0 Reverse Arrhenius coefficients: 8.20E+32 -7.2 16640.03114. QC7H15O2<=>PC7H14+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 9.71E+29 -6.2 20470.03115. NC7H14OOH-N2<=>N-NC7H14O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3116. NC7H14OOH-O<=>N-OC7H14O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3117. NC7H14OOH-P<=>N-PC7H14O+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3118. NC7H14OOH-Q<=>N-QC7H14O+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3119. OC7H14OOH-N<=>N-OC7H14O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3120. OC7H14OOH-P<=>O-PC7H14O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3121. OC7H14OOH-Q<=>O-QC7H14O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3122. PC7H14OOH-N<=>N-PC7H14O+OH 9.38E+09 0.0 6000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3123. PC7H14OOH-O<=>O-PC7H14O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3124. PC7H14OOH-Q<=>P-QC7H14O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3125. QC7H14OOH-N<=>N-QC7H14O+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3126. QC7H14OOH-O<=>O-QC7H14O+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3127. QC7H14OOH-P<=>P-QC7H14O+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3128. OC7H14OOH-P<=>OC7H14+HO2 1.23E+20 -2.5 23350.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 13400.03129. PC7H14OOH-O<=>OC7H14+HO2 1.23E+20 -2.5 23350.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 13400.03130. PC7H14OOH-Q<=>PC7H14+HO2 7.52E+21 -2.7 22770.0 Reverse Arrhenius coefficients: 4.36E+11 0.0 13360.03131. QC7H14OOH-P<=>PC7H14+HO2 2.11E+19 -2.0 20360.0 Reverse Arrhenius coefficients: 4.36E+11 0.0 13360.03132. NC7H14OOH-N2<=>OH+CH2O+AC6H12 5.00E+13 0.0 25500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3133. NC7H14OOH-O<=>OH+CH2O+BC6H12 5.00E+13 0.0 25500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3134. OC7H14OOH-N<=>OH+C2H5CHO+IC4H8 5.00E+13 0.0 25500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3135. OC7H14OOH-Q<=>OH+TC4H9CHO+C2H4 5.00E+13 0.0 25500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3136. QC7H14OOH-O<=>OH+CH2O+NEOC6H12 5.00E+13 0.0 25500.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3137. NC7H14OOH-N2O2<=>NC7H14OOH-N2+O2 9.20E+19 -1.6 35720.0 Reverse Arrhenius coefficients: 1.24E+12 0.0 0.03138. NC7H14OOH-OO2<=>NC7H14OOH-O+O2 2.80E+22 -2.3 38060.0 Reverse Arrhenius coefficients: 1.75E+12 0.0 0.03139. NC7H14OOH-PO2<=>NC7H14OOH-P+O2 2.80E+22 -2.3 38060.0 Reverse Arrhenius coefficients: 1.75E+12 0.0 0.03140. NC7H14OOH-QO2<=>NC7H14OOH-Q+O2 3.35E+20 -1.6 35720.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03141. OC7H14OOH-NO2<=>OC7H14OOH-N+O2 5.58E+19 -1.6 35650.0 Reverse Arrhenius coefficients: 1.24E+12 0.0 0.03142. OC7H14OOH-PO2<=>OC7H14OOH-P+O2 2.10E+22 -2.3 38020.0 Reverse Arrhenius coefficients: 1.75E+12 0.0 0.03143. OC7H14OOH-QO2<=>OC7H14OOH-Q+O2 2.03E+20 -1.6 35650.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03144. PC7H14OOH-NO2<=>PC7H14OOH-N+O2 5.58E+19 -1.6 35650.0 Reverse Arrhenius coefficients: 1.24E+12 0.0 0.03145. PC7H14OOH-OO2<=>PC7H14OOH-O+O2 2.10E+22 -2.3 38020.0 Reverse Arrhenius coefficients: 1.75E+12 0.0 0.03146. PC7H14OOH-QO2<=>PC7H14OOH-Q+O2 2.03E+20 -1.6 35650.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03147. QC7H14OOH-NO2<=>QC7H14OOH-N+O2 3.35E+20 -1.6 35720.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03148. QC7H14OOH-OO2<=>QC7H14OOH-O+O2 2.80E+22 -2.3 38060.0 Reverse Arrhenius coefficients: 1.75E+12 0.0 0.03149. QC7H14OOH-PO2<=>QC7H14OOH-P+O2 2.80E+22 -2.3 38060.0 Reverse Arrhenius coefficients: 1.75E+12 0.0 0.03150. NC7H14OOH-N2O2<=>NEOC7KETNN+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 9.84E+02 1.5 43730.03151. NC7H14OOH-OO2<=>NEOC7KETNO+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 3.23E+03 1.4 43790.0

SUPPLEMENTAL MATERIAL3152. NC7H14OOH-PO2<=>NEOC7KETNP+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 4.04E+02 1.4 41740.03153. NC7H14OOH-QO2<=>NEOC7KETNQ+OH 3.91E+08 0.0 22550.0 Reverse Arrhenius coefficients: 3.06E+01 1.5 44880.03154. OC7H14OOH-NO2<=>NEOC7KETON+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 9.35E+01 1.8 43170.03155. OC7H14OOH-PO2<=>NEOC7KETOP+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 2.76E+03 1.6 48370.03156. OC7H14OOH-QO2<=>NEOC7KETOQ+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 9.36E+01 1.8 43170.03157. PC7H14OOH-NO2<=>NEOC7KETPN+OH 1.56E+09 0.0 16050.0 Reverse Arrhenius coefficients: 8.38E+00 1.9 42230.03158. PC7H14OOH-OO2<=>NEOC7KETPO+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 1.80E+03 1.7 49170.03159. PC7H14OOH-QO2<=>NEOC7KETPQ+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 2.47E+02 1.9 50030.03160. QC7H14OOH-NO2<=>NEOC7KETQN+OH 3.91E+08 0.0 22550.0 Reverse Arrhenius coefficients: 1.90E+01 1.5 45870.03161. QC7H14OOH-OO2<=>NEOC7KETQO+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 9.34E+02 1.5 44680.03162. QC7H14OOH-PO2<=>NEOC7KETQP+OH 2.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 2.37E+04 1.4 48900.03163. NEOC7KETNN<=>CH2O+C5H10CHO2-2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3164. NEOC7KETNO<=>C2H5CHO+TC3H6CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3165. NEOC7KETNP<=>CH3CHO+TC4H8CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3166. NEOC7KETNQ<=>CH2O+IC5H10CHO-BD+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3167. NEOC7KETON<=>CH2O+TC3H6COC2H5+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3168. NEOC7KETOP<=>CH3CHO+TC4H9CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3169. NEOC7KETOQ<=>CH2O+TC4H9COCH2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3170. NEOC7KETPN<=>CH2O+TC3H6CH2COCH3+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3171. NEOC7KETPO<=>TC4H9CHO+CH3CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3172. NEOC7KETPQ<=>CH2O+NEOC5H11CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3173. NEOC7KETQN<=>CH2O+BC5H10CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3174. NEOC7KETQO<=>TC4H9CHO+CH2CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3175. NEOC7KETQP<=>NEOC5H11CHO+HCO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3176. N-NC7H14O+OH<=>AC6H12+HCO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3177. N-OC7H14O+OH<=>BC6H12+HCO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3178. N-PC7H14O+OH<=>C3H6+TC3H6CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3179. N-QC7H14O+OH<=>C2H4+TC4H8CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3180. O-PC7H14O+OH<=>CH3CHCO+TC4H9+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3181. O-QC7H14O+OH<=>NEOC6H12+HCO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3182. P-QC7H14O+OH<=>C2H3CHO+TC4H9+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3183. N-NC7H14O+OH<=>AC6H11-C+CH2O+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3184. N-OC7H14O+OH<=>IC4H8+C2H5CO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3185. N-PC7H14O+OH<=>IC4H8+CH3COCH2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3186. N-QC7H14O+OH<=>IC4H8+CH2CH2CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3187. O-PC7H14O+OH<=>TC4H9CO+C2H4+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3188. O-QC7H14O+OH<=>C2H4+TC4H9CO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3189. P-QC7H14O+OH<=>CH2CO+NEOC5H11+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3190. N-NC7H14O+HO2<=>AC6H12+HCO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3191. N-OC7H14O+HO2<=>BC6H12+HCO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3192. N-PC7H14O+HO2<=>C3H6+TC3H6CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3193. N-QC7H14O+HO2<=>C2H4+TC4H8CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3194. O-PC7H14O+HO2<=>CH3CHCO+TC4H9+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3195. O-QC7H14O+HO2<=>NEOC6H12+HCO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3196. P-QC7H14O+HO2<=>C2H3CHO+TC4H9+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3197. N-NC7H14O+HO2<=>AC6H11-C+CH2O+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3198. N-OC7H14O+HO2<=>IC4H8+C2H5CO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3199. N-PC7H14O+HO2<=>IC4H8+CH3COCH2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3200. N-QC7H14O+HO2<=>IC4H8+CH2CH2CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3201. O-PC7H14O+HO2<=>TC4H9CO+C2H4+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3202. O-QC7H14O+HO2<=>C2H4+TC4H9CO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3203. P-QC7H14O+HO2<=>CH2CO+NEOC5H11+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3204. OC7H14OH<=>OC7H14+OH 1.07E+16 -1.0 30210.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.03205. OO2C7H14OH<=>OC7H14OH+O2 5.89E+21 -2.1 37890.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.03206. OO2C7H14OH<=>TC4H9CHO+CH3CHO+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3207. PC7H14OH<=>PC7H14+OH 6.11E+14 -0.5 27630.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.03208. PO2C7H14OH<=>PC7H14OH+O2 2.42E+21 -2.0 37800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.03209. PO2C7H14OH<=>NEOC5H11CHO+CH2O+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3210. IC8H18<=>AC8H17+H 5.75E+17 -0.4 101200.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.03211. IC8H18<=>BC8H17+H 3.30E+18 -0.7 98730.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.03212. IC8H18<=>CC8H17+H 1.15E+19 -0.9 95430.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.03213. IC8H18<=>DC8H17+H 1.92E+17 -0.4 100400.0 Reverse Arrhenius coefficients: 1.00E+14 0.0 0.03214. IC8H18<=>YC7H15+CH3 1.64E+27 -2.8 83930.0 Reverse Arrhenius coefficients: 1.63E+13 0.0 -596.03215. IC8H18<=>PC7H15+CH3 1.38E+26 -2.6 85860.0 Reverse Arrhenius coefficients: 1.93E+14 -0.3 0.03216. IC8H18<=>TC4H9+IC4H9 7.83E+29 -3.9 84150.0 Reverse Arrhenius coefficients: 3.59E+14 -0.8 0.03217. IC8H18<=>NEOC5H11+IC3H7 2.45E+23 -2.0 83400.0 Reverse Arrhenius coefficients: 3.59E+14 -0.8 0.03218. IC8H18+H<=>AC8H17+H2 7.34E+05 2.8 8147.0 Reverse Arrhenius coefficients: 5.10E+01 3.4 10480.03219. IC8H18+H<=>BC8H17+H2 5.74E+05 2.5 4124.0 Reverse Arrhenius coefficients: 6.94E+00 3.5 8954.03220. IC8H18+H<=>CC8H17+H2 6.02E+05 2.4 2583.0 Reverse Arrhenius coefficients: 2.10E+00 3.6 10710.03221. IC8H18+H<=>DC8H17+H2 1.88E+05 2.8 6280.0 Reverse Arrhenius coefficients: 3.91E+01 3.4 9417.03222. IC8H18+O<=>AC8H17+OH 8.55E+03 3.0 3123.0 Reverse Arrhenius coefficients: 3.12E-01 3.7 4048.03223. IC8H18+O<=>BC8H17+OH 4.77E+04 2.7 2106.0 Reverse Arrhenius coefficients: 3.03E-01 3.7 5524.03224. IC8H18+O<=>CC8H17+OH 3.83E+05 2.4 1140.0 Reverse Arrhenius coefficients: 7.00E-01 3.6 7858.03225. IC8H18+O<=>DC8H17+OH 2.85E+05 2.5 3645.0 Reverse Arrhenius coefficients: 3.12E+01 3.1 5370.03226. IC8H18+OH<=>AC8H17+H2O 2.63E+07 1.8 1431.03227. IC8H18+OH<=>BC8H17+H2O 9.00E+05 2.0 -1133.0 Reverse Arrhenius coefficients: 1.16E+02 2.9 18590.03228. IC8H18+OH<=>CC8H17+H2O 1.70E+06 1.9 -1450.0 Reverse Arrhenius coefficients: 6.30E+01 3.0 21570.03229. IC8H18+OH<=>DC8H17+H2O 1.78E+07 1.8 1431.0 Reverse Arrhenius coefficients: 3.94E+04 2.3 19460.03230. IC8H18+CH3<=>AC8H17+CH4 4.26E-14 8.1 4154.0 Reverse Arrhenius coefficients: 2.70E-15 8.2 8031.03231. IC8H18+CH3<=>BC8H17+CH4 2.70E+04 2.3 7287.0 Reverse Arrhenius coefficients: 2.99E+02 2.8 13660.03232. IC8H18+CH3<=>CC8H17+CH4 6.01E-10 6.4 893.0 Reverse Arrhenius coefficients: 1.91E-12 7.1 10560.03233. IC8H18+CH3<=>DC8H17+CH4 1.47E-01 3.9 6808.0 Reverse Arrhenius coefficients: 2.79E-02 4.1 11480.03234. IC8H18+HO2<=>AC8H17+H2O2 6.12E+01 3.6 17160.03235. IC8H18+HO2<=>BC8H17+H2O2 6.32E+01 3.4 13720.03236. IC8H18+HO2<=>CC8H17+H2O2 4.33E+02 3.0 12090.03237. IC8H18+HO2<=>DC8H17+H2O2 4.08E+01 3.6 17160.03238. IC8H18+CH3O<=>AC8H17+CH3OH 4.74E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.03239. IC8H18+CH3O<=>BC8H17+CH3OH 1.10E+11 0.0 5000.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 8.90E+09 0.0 7200.03240. IC8H18+CH3O<=>CC8H17+CH3OH 1.90E+10 0.0 2800.0 Reverse Arrhenius coefficients: 1.00E+10 0.0 5200.03241. IC8H18+CH3O<=>DC8H17+CH3OH 3.20E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.03242. IC8H18+O2<=>AC8H17+HO2 6.30E+13 0.0 50760.0 Reverse Arrhenius coefficients: 2.30E+10 0.3 -1592.03243. IC8H18+O2<=>BC8H17+HO2 1.40E+13 0.0 48210.0 Reverse Arrhenius coefficients: 8.89E+08 0.6 -1649.03244. IC8H18+O2<=>CC8H17+HO2 7.00E+12 0.0 46060.0 Reverse Arrhenius coefficients: 1.28E+08 0.9 -499.03245. IC8H18+O2<=>DC8H17+HO2 4.20E+13 0.0 50760.0 Reverse Arrhenius coefficients: 4.58E+10 0.3 -792.03246. IC8H18+C2H5<=>AC8H17+C2H6 1.50E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.03247. IC8H18+C2H5<=>BC8H17+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.03248. IC8H18+C2H5<=>CC8H17+C2H6 1.00E+11 0.0 7900.0 Reverse Arrhenius coefficients: 3.00E+11 0.0 21000.03249. IC8H18+C2H5<=>DC8H17+C2H6 1.00E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.03250. IC8H18+C2H3<=>AC8H17+C2H4 1.50E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.57E+12 0.0 25400.03251. IC8H18+C2H3<=>BC8H17+C2H4 4.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.03252. IC8H18+C2H3<=>CC8H17+C2H4 2.00E+11 0.0 14300.0 Reverse Arrhenius coefficients: 2.50E+12 0.0 23000.03253. IC8H18+C2H3<=>DC8H17+C2H4 1.00E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.57E+12 0.0 25400.03254. XC7H14+CH3<=>AC8H17 1.30E+03 2.5 8520.0 Reverse Arrhenius coefficients: 1.25E+13 0.3 28320.03255. IC4H8+IC4H9<=>AC8H17 6.09E+02 2.5 8520.0 Reverse Arrhenius coefficients: 2.46E+14 -0.1 26780.03256. YC7H14+CH3<=>BC8H17 1.30E+03 2.5 8520.0 Reverse Arrhenius coefficients: 4.70E+12 0.5 28210.03257. OC7H14+CH3<=>BC8H17 1.30E+03 2.5 8520.0 Reverse Arrhenius coefficients: 3.60E+10 0.9 29410.03258. IC4H8+TC4H9<=>CC8H17 6.09E+02 2.5 6130.0 Reverse Arrhenius coefficients: 6.24E+14 -0.1 25890.03259. PC7H14+CH3<=>DC8H17 1.30E+03 2.5 8520.0 Reverse Arrhenius coefficients: 2.84E+11 0.7 29570.03260. C3H6+NEOC5H11<=>DC8H17 4.00E+02 2.5 8520.0 Reverse Arrhenius coefficients: 3.73E+08 1.6 27020.03261. BC8H17<=>IC8H16+H 1.84E+12 0.4 35240.0 Reverse Arrhenius coefficients: 6.25E+11 0.5 2620.03262. CC8H17<=>IC8H16+H 9.00E+11 0.6 37150.0 Reverse Arrhenius coefficients: 1.06E+12 0.5 1230.03263. CC8H17<=>JC8H16+H 4.21E+11 0.8 36690.0 Reverse Arrhenius coefficients: 1.06E+12 0.5 1230.03264. CC8H17+O2<=>IC8H16+HO2 3.00E-19 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.03265. CC8H17+O2<=>JC8H16+HO2 1.50E-19 0.0 4000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.03266. DC8H17<=>JC8H16+H 1.48E+13 0.2 33090.0 Reverse Arrhenius coefficients: 6.25E+11 0.5 2620.03267. AC8H17<=>DC8H17 1.39E+11 0.0 15400.0 Reverse Arrhenius coefficients: 4.16E+11 0.0 16200.03268. AC8H17<=>CC8H17 3.71E+11 0.0 20400.0 Reverse Arrhenius coefficients: 1.86E+10 0.6 26190.03269. DC8H17+O2<=>JC8H16+HO2 2.00E-18 0.0 5000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.03270. IC8H16+H<=>IC8H15+H2 3.70E+13 0.0 3900.0 Reverse Arrhenius coefficients: 3.42E+12 0.0 19570.03271. JC8H16+H<=>IC8H15+H2 3.70E+13 0.0 3900.0 Reverse Arrhenius coefficients: 1.60E+12 0.2 19110.03272. IC8H16+O<=>IC8H15+OH 3.70E+13 0.0 3900.0 Reverse Arrhenius coefficients: 1.80E+12 0.0 18160.03273. JC8H16+O<=>IC8H15+OH 3.70E+13 0.0 3900.0 Reverse Arrhenius coefficients: 8.42E+11 0.2 17700.03274. IC8H16+OH<=>IC8H15+H2O 3.70E+13 0.0 3900.0 Reverse Arrhenius coefficients: 3.64E+13 -0.1 34460.03275. JC8H16+OH<=>IC8H15+H2O 3.70E+13 0.0 3900.0 Reverse Arrhenius coefficients: 1.71E+13 0.1 34000.03276. IC8H15<=>IC4H8+IC4H7-I1 8.99E+24 -3.0 53600.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03277. IC8H16+CH3<=>IC8H15+CH4 2.00E+12 0.0 7300.0 Reverse Arrhenius coefficients: 1.69E+14 -0.4 24510.03278. JC8H16+CH3<=>IC8H15+CH4 2.00E+12 0.0 7300.0 Reverse Arrhenius coefficients: 7.91E+13 -0.2 24050.03279. IC8H16+OH<=>CH3COCH3+NEOC5H11 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3280. JC8H16+OH<=>CH2O+PC7H15 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3281. JC8H16+O<=>CH2O+PC7H14 1.00E+11 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3282. IC8H18+CH3O2<=>AC8H17+CH3O2H 2.08E+00 4.0 18280.03283. IC8H18+CH3O2<=>BC8H17+CH3O2H 1.02E+01 3.6 14810.03284. IC8H18+CH3O2<=>CC8H17+CH3O2H 1.37E+02 3.1 13190.03285. IC8H18+CH3O2<=>DC8H17+CH3O2H 1.39E+00 4.0 18280.03286. IC8H18+AC8H17O2<=>AC8H17+AC8H17O2H 1.81E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03287. IC8H18+BC8H17O2<=>AC8H17+BC8H17O2H 1.81E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03288. IC8H18+CC8H17O2<=>AC8H17+CC8H17O2H 1.81E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03289. IC8H18+DC8H17O2<=>AC8H17+DC8H17O2H 1.81E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03290. IC8H18+AC8H17O2<=>BC8H17+AC8H17O2H 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03291. IC8H18+BC8H17O2<=>BC8H17+BC8H17O2H 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03292. IC8H18+CC8H17O2<=>BC8H17+CC8H17O2H 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03293. IC8H18+DC8H17O2<=>BC8H17+DC8H17O2H 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03294. IC8H18+AC8H17O2<=>CC8H17+AC8H17O2H 2.00E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03295. IC8H18+BC8H17O2<=>CC8H17+BC8H17O2H 2.00E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03296. IC8H18+CC8H17O2<=>CC8H17+CC8H17O2H 2.00E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03297. IC8H18+DC8H17O2<=>CC8H17+DC8H17O2H 2.00E+12 0.0 16000.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03298. IC8H18+AC8H17O2<=>DC8H17+AC8H17O2H 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03299. IC8H18+BC8H17O2<=>DC8H17+BC8H17O2H 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03300. IC8H18+CC8H17O2<=>DC8H17+CC8H17O2H 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03301. IC8H18+DC8H17O2<=>DC8H17+DC8H17O2H 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03302. IC8H18+O2CHO<=>AC8H17+HO2CHO 2.52E+13 0.0 20440.0 Reverse Arrhenius coefficients: 5.58E+02 2.3 3062.03303. IC8H18+O2CHO<=>BC8H17+HO2CHO 5.60E+12 0.0 17690.0 Reverse Arrhenius coefficients: 2.16E+01 2.7 2806.03304. IC8H18+O2CHO<=>CC8H17+HO2CHO 2.80E+12 0.0 16010.0 Reverse Arrhenius coefficients: 3.11E+00 2.9 4633.03305. IC8H18+O2CHO<=>DC8H17+HO2CHO 1.68E+13 0.0 20440.0 Reverse Arrhenius coefficients: 1.11E+03 2.3 3862.03306. IC8H18+IC4H6OH<=>AC8H17+IC4H7OH 7.05E+02 3.3 19840.0 Reverse Arrhenius coefficients: 2.77E-01 3.9 6526.03307. IC8H18+IC4H6OH<=>BC8H17+IC4H7OH 1.57E+02 3.3 18170.0 Reverse Arrhenius coefficients: 1.07E-02 4.3 7350.03308. IC8H18+IC4H6OH<=>CC8H17+IC4H7OH 8.44E+01 3.3 17170.0 Reverse Arrhenius coefficients: 1.66E-03 4.5 9648.03309. IC8H18+IC4H6OH<=>DC8H17+IC4H7OH 4.70E+02 3.3 19840.0 Reverse Arrhenius coefficients: 5.53E-01 3.9 7326.03310. AC8H17O2<=>AC8H17+O2 3.46E+20 -1.7 35720.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03311. BC8H17O2<=>BC8H17+O2 1.05E+23 -2.3 38840.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03312. CC8H17O2<=>CC8H17+O2 3.62E+24 -2.6 36010.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.03313. DC8H17O2<=>DC8H17+O2 3.46E+20 -1.7 34920.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03314. AC8H17+AC8H17O2<=>AC8H17O+AC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.48E+13 -0.2 29360.03315. AC8H17+BC8H17O2<=>AC8H17O+BC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.99E+13 -0.1 28230.03316. AC8H17+CC8H17O2<=>AC8H17O+CC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.35E+13 -0.2 30170.03317. AC8H17+DC8H17O2<=>AC8H17O+DC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.25E+13 -0.2 29360.03318. BC8H17+AC8H17O2<=>BC8H17O+AC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.04E+15 -0.8 31350.03319. BC8H17+BC8H17O2<=>BC8H17O+BC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.96E+15 -0.8 30220.03320. BC8H17+CC8H17O2<=>BC8H17O+CC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.07E+15 -0.8 32160.03321. BC8H17+DC8H17O2<=>BC8H17O+DC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.54E+15 -0.8 31350.03322. CC8H17+AC8H17O2<=>CC8H17O+AC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.46E+17 -1.1 30460.03323. CC8H17+BC8H17O2<=>CC8H17O+BC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.12E+17 -1.0 29330.03324. CC8H17+CC8H17O2<=>CC8H17O+CC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.80E+16 -1.1 31270.03325. CC8H17+DC8H17O2<=>CC8H17O+DC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 7.32E+16 -1.1 30460.03326. DC8H17+AC8H17O2<=>DC8H17O+AC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.25E+13 -0.2 28560.03327. DC8H17+BC8H17O2<=>DC8H17O+BC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.50E+13 -0.1 27430.03328. DC8H17+CC8H17O2<=>DC8H17O+CC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.18E+13 -0.2 29370.03329. DC8H17+DC8H17O2<=>DC8H17O+DC8H17O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.63E+13 -0.2 28560.03330. AC8H17+HO2<=>AC8H17O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.18E+15 -0.5 25880.03331. BC8H17+HO2<=>BC8H17O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.04E+17 -1.1 27870.03332. CC8H17+HO2<=>CC8H17O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 4.91E+18 -1.4 26980.03333. DC8H17+HO2<=>DC8H17O+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.09E+15 -0.5 25080.03334. AC8H17+CH3O2<=>AC8H17O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.36E+14 -0.2 30120.03335. BC8H17+CH3O2<=>BC8H17O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.90E+16 -0.8 32110.03336. CC8H17+CH3O2<=>CC8H17O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.07E+17 -1.1 31220.03337. DC8H17+CH3O2<=>DC8H17O+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.84E+13 -0.2 29320.03338. AC8H17O2+HO2<=>AC8H17O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.07E+13 -0.8 33620.03339. BC8H17O2+HO2<=>BC8H17O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.75E+13 -0.8 33610.03340. CC8H17O2+HO2<=>CC8H17O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.75E+13 -0.8 33610.03341. DC8H17O2+HO2<=>DC8H17O2H+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.07E+13 -0.8 33620.03342. H2O2+AC8H17O2<=>HO2+AC8H17O2H 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03343. H2O2+BC8H17O2<=>HO2+BC8H17O2H 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03344. H2O2+CC8H17O2<=>HO2+CC8H17O2H 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03345. H2O2+DC8H17O2<=>HO2+DC8H17O2H 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03346. AC8H17O2+CH3O2<=>AC8H17O+CH3O+O2 1.40E+16 -1.6 1860.0

SUPPLEMENTAL MATERIAL REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3347. BC8H17O2+CH3O2<=>BC8H17O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3348. CC8H17O2+CH3O2<=>CC8H17O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3349. DC8H17O2+CH3O2<=>DC8H17O+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3350. AC8H17O2+AC8H17O2<=>O2+AC8H17O+AC8H17O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3351. AC8H17O2+BC8H17O2<=>AC8H17O+BC8H17O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3352. AC8H17O2+CC8H17O2<=>AC8H17O+CC8H17O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3353. AC8H17O2+DC8H17O2<=>AC8H17O+DC8H17O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3354. BC8H17O2+BC8H17O2<=>O2+BC8H17O+BC8H17O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3355. BC8H17O2+CC8H17O2<=>BC8H17O+CC8H17O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3356. BC8H17O2+DC8H17O2<=>BC8H17O+DC8H17O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3357. CC8H17O2+CC8H17O2<=>O2+CC8H17O+CC8H17O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3358. CC8H17O2+DC8H17O2<=>CC8H17O+DC8H17O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3359. DC8H17O2+DC8H17O2<=>O2+DC8H17O+DC8H17O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3360. AC8H17O2H<=>AC8H17O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.75E+07 1.9 -6742.03361. BC8H17O2H<=>BC8H17O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.46E+07 2.0 -7862.03362. CC8H17O2H<=>CC8H17O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.27E+07 1.9 -5922.03363. DC8H17O2H<=>DC8H17O+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 8.77E+06 1.9 -6742.03364. AC8H17O<=>YC7H15+CH2O 5.69E+24 -3.2 19140.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.03365. BC8H17O<=>TC4H9+IC3H7CHO 3.11E+26 -3.6 15980.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.03366. BC8H17O<=>IC3H7+TC4H9CHO 3.33E+23 -2.9 18470.0 Reverse Arrhenius coefficients: 6.25E+10 0.0 12900.03367. CC8H17O<=>NEOC5H11+CH3COCH3 1.21E+20 -1.7 12340.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.03368. DC8H17O<=>PC7H15+CH2O 6.08E+22 -2.7 20470.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.03369. AC8H17O2<=>AC8H16OOH-A 7.50E+10 0.0 24000.03370. AC8H17O2<=>AC8H16OOH-B 2.50E+10 0.0 20450.03371. AC8H17O2<=>AC8H16OOH-C 1.56E+09 0.0 16650.03372. AC8H17O2<=>AC8H16OOH-D 1.17E+09 0.0 25150.03373. BC8H17O2<=>BC8H16OOH-A 1.12E+11 0.0 24000.03374. BC8H17O2<=>BC8H16OOH-C 1.00E+11 0.0 23700.03375. BC8H17O2<=>BC8H16OOH-D 7.50E+10 0.0 24000.03376. CC8H17O2<=>CC8H16OOH-A 1.41E+10 0.0 21950.03377. CC8H17O2<=>CC8H16OOH-B 2.00E+11 0.0 26450.03378. CC8H17O2<=>CC8H16OOH-D 6.00E+11 0.0 29000.03379. DC8H17O2<=>DC8H16OOH-A 1.76E+09 0.0 25150.03380. DC8H17O2<=>DC8H16OOH-B 2.50E+10 0.0 20450.03381. DC8H17O2<=>DC8H16OOH-C 1.00E+11 0.0 23700.03382. DC8H17O2<=>DC8H16OOH-D 3.75E+10 0.0 24000.03383. BC8H17O2<=>IC8H16+HO2 8.53E+35 -7.2 41490.03384. CC8H17O2<=>IC8H16+HO2 1.00E+39 -8.1 42490.03385. CC8H17O2<=>JC8H16+HO2 2.02E+43 -9.4 43490.03386. DC8H17O2<=>JC8H16+HO2 8.53E+35 -7.2 41490.03387. AC8H16OOH-A<=>IC8ETERAA+OH 3.00E+11 0.0 14250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3388. AC8H16OOH-B<=>IC8ETERAB+OH 3.00E+11 0.0 14250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3389. AC8H16OOH-C<=>IC8ETERAC+OH 2.74E+10 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3390. AC8H16OOH-D<=>IC8ETERAD+OH 3.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3391. BC8H16OOH-C<=>IC8ETERBC+OH 1.80E+12 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3392. BC8H16OOH-A<=>IC8ETERAB+OH 3.00E+11 0.0 14250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3393. BC8H16OOH-D<=>IC8ETERBD+OH 3.00E+11 0.0 14250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3394. CC8H16OOH-D<=>IC8ETERCD+OH 1.80E+12 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3395. CC8H16OOH-B<=>IC8ETERBC+OH 1.80E+12 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3396. CC8H16OOH-A<=>IC8ETERAC+OH 2.74E+10 0.0 7000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3397. DC8H16OOH-C<=>IC8ETERCD+OH 1.80E+12 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3398. DC8H16OOH-D<=>IC8ETERDD+OH 3.00E+11 0.0 14250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3399. DC8H16OOH-B<=>IC8ETERBD+OH 3.00E+11 0.0 14250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3400. DC8H16OOH-A<=>IC8ETERAD+OH 3.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3401. BC8H16OOH-C<=>IC8H16+HO2 1.53E+20 -2.4 24400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.03402. CC8H16OOH-D<=>JC8H16+HO2 1.17E+22 -2.7 16740.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.03403. CC8H16OOH-B<=>IC8H16+HO2 1.13E+21 -2.5 22960.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.03404. DC8H16OOH-C<=>JC8H16+HO2 1.88E+18 -1.8 14960.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.03405. AC8H16OOH-A<=>OH+CH2O+XC7H14 9.09E+17 -1.3 28580.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3406. AC8H16OOH-B<=>OH+CH2O+YC7H14 1.25E+17 -1.1 28210.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3407. BC8H16OOH-A<=>OH+IC3H7CHO+IC4H8 3.12E+21 -2.4 26330.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3408. BC8H16OOH-D<=>OH+TC4H9CHO+C3H6 1.29E+21 -2.2 32970.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3409. DC8H16OOH-B<=>OH+CH2O+OC7H14 1.12E+15 -0.5 30930.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3410. DC8H16OOH-D<=>OH+CH2O+PC7H14 8.01E+15 -0.7 30890.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3411. AC8H16OOH-A<=>XC7H13OOH-X1+CH3 2.81E+17 -1.2 28530.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 10900.03412. AC8H16OOH-A<=>IC4H7OOH+TC4H9 1.51E+24 -3.1 26840.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 12300.03413. AC8H16OOH-B<=>YC7H13OOH-X1+CH3 1.03E+16 -0.8 27450.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 10900.03414. AC8H16OOH-B<=>OC7H13OOH-N+CH3 3.76E+14 -0.6 27330.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 10200.03415. BC8H16OOH-A<=>XC7H13OOH-Z+CH3 2.14E+16 -0.8 29150.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 10600.03416. BC8H16OOH-D<=>PC7H13OOH-O+CH3 1.40E+15 -0.7 31780.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 9200.03417. DC8H16OOH-B<=>OC7H13OOH-Q+CH3 2.49E+14 -0.5 26930.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 9200.03418. DC8H16OOH-B<=>YC7H13OOH-X2+CH3 4.77E+17 -1.0 29600.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 13600.03419. DC8H16OOH-D<=>NEOC5H11+AC3H5OOH 2.01E+22 -2.4 30980.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 9200.03420. AC8H16OOH-C<=>IC4H8+IC4H8O2H-T 5.57E+21 -2.4 27120.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 7800.03421. CC8H16OOH-A<=>IC4H8+TC4H8O2H-I 1.73E+23 -2.8 29800.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 10600.03422. CC8H16OOH-A<=>XC7H13OOH-Y2+CH3 3.52E+17 -1.3 27140.0 Reverse Arrhenius coefficients: 1.25E+11 0.0 10600.03423. AC8H16OOH-D<=>C3H6+NEOC5H10OOH 2.02E+19 -1.9 28830.0 Reverse Arrhenius coefficients: 1.42E+11 -0.3 9864.03424. AC8H16OOH-AO2<=>AC8H16OOH-A+O2 3.25E+20 -1.6 34920.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03425. AC8H16OOH-BO2<=>AC8H16OOH-B+O2 1.36E+23 -2.4 37280.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03426. AC8H16OOH-CO2<=>AC8H16OOH-C+O2 3.26E+24 -2.5 36700.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.03427. AC8H16OOH-DO2<=>AC8H16OOH-D+O2 3.25E+20 -1.6 34920.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03428. BC8H16OOH-CO2<=>BC8H16OOH-C+O2 1.53E+24 -2.4 36620.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.03429. BC8H16OOH-AO2<=>BC8H16OOH-A+O2 2.98E+20 -1.6 34900.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03430. BC8H16OOH-DO2<=>BC8H16OOH-D+O2 2.98E+20 -1.6 34900.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03431. CC8H16OOH-DO2<=>CC8H16OOH-D+O2 1.68E+20 -1.6 35720.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03432. CC8H16OOH-BO2<=>CC8H16OOH-B+O2 1.11E+23 -2.3 38060.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03433. CC8H16OOH-AO2<=>CC8H16OOH-A+O2 3.36E+20 -1.6 35720.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03434. DC8H16OOH-CO2<=>DC8H16OOH-C+O2 3.27E+24 -2.5 37500.0 Reverse Arrhenius coefficients: 1.41E+13 0.0 0.03435. DC8H16OOH-DO2<=>DC8H16OOH-D+O2 1.63E+20 -1.6 35720.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03436. DC8H16OOH-BO2<=>DC8H16OOH-B+O2 1.36E+23 -2.4 38080.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03437. DC8H16OOH-AO2<=>DC8H16OOH-A+O2 3.25E+20 -1.6 35720.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03438. AC8H16OOH-AO2<=>IC8KETAA+OH 2.50E+10 0.0 21000.03439. AC8H16OOH-BO2<=>IC8KETAB+OH 2.50E+10 0.0 21000.03440. AC8H16OOH-CO2<=>IC8KETAC+OH 3.12E+09 0.0 18950.03441. AC8H16OOH-DO2<=>IC8KETAD+OH 3.91E+08 0.0 22150.03442. BC8H16OOH-CO2<=>IC8KETBC+OH 1.00E+11 0.0 23450.03443. BC8H16OOH-AO2<=>IC8KETBA+OH 1.25E+10 0.0 17450.03444. BC8H16OOH-DO2<=>IC8KETBD+OH 1.25E+10 0.0 17450.03445. DC8H16OOH-CO2<=>IC8KETDC+OH 2.00E+11 0.0 26000.03446. DC8H16OOH-DO2<=>IC8KETDD+OH 2.50E+10 0.0 21000.03447. DC8H16OOH-BO2<=>IC8KETDB+OH 2.50E+10 0.0 21000.03448. DC8H16OOH-AO2<=>IC8KETDA+OH 3.91E+08 0.0 22150.03449. IC8ETERAA+OH<=>XC7H14+HCO+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible

SUPPLEMENTAL MATERIAL3450. IC8ETERAB+OH<=>YC7H14+HCO+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3451. IC8ETERAC+OH<=>IC4H8+TC3H6CHO+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3452. IC8ETERAD+OH<=>C3H6+TC4H8CHO+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3453. IC8ETERBC+OH<=>IC3H5CHO+TC4H9+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3454. IC8ETERBD+OH<=>OC7H14+HCO+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3455. IC8ETERCD+OH<=>IC3H5CHO+TC4H9+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3456. IC8ETERDD+OH<=>C2H3CHO+NEOC5H11+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3457. IC8ETERAA+OH<=>IC3H5CHO+IC4H9+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3458. IC8ETERAB+OH<=>IC4H8+IC3H7CO+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3459. IC8ETERAC+OH<=>CH2O+YC7H13-Y2+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3460. IC8ETERAD+OH<=>IC4H8+IC3H6CHO+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3461. IC8ETERBC+OH<=>IC3H6CO+TC4H9+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3462. IC8ETERBD+OH<=>C3H6+TC4H9CO+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3463. IC8ETERCD+OH<=>CH2O+PC7H13-O+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3464. IC8ETERDD+OH<=>CH2O+PC7H13-O+H2O 1.25E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3465. IC8ETERAA+HO2<=>XC7H14+HCO+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3466. IC8ETERAB+HO2<=>YC7H14+HCO+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3467. IC8ETERAC+HO2<=>IC4H8+TC3H6CHO+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3468. IC8ETERAD+HO2<=>C3H6+TC4H8CHO+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3469. IC8ETERBC+HO2<=>IC3H5CHO+TC4H9+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3470. IC8ETERBD+HO2<=>OC7H14+HCO+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3471. IC8ETERCD+HO2<=>IC3H5CHO+TC4H9+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3472. IC8ETERDD+HO2<=>C2H3CHO+NEOC5H11+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3473. IC8ETERAA+HO2<=>IC3H5CHO+IC4H9+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3474. IC8ETERAB+HO2<=>IC4H8+IC3H7CO+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3475. IC8ETERAC+HO2<=>CH2O+YC7H13-Y2+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3476. IC8ETERAD+HO2<=>IC4H8+IC3H6CHO+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3477. IC8ETERBC+HO2<=>IC3H6CO+TC4H9+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3478. IC8ETERBD+HO2<=>C3H6+TC4H9CO+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3479. IC8ETERCD+HO2<=>CH2O+PC7H13-O+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3480. IC8ETERDD+HO2<=>CH2O+PC7H13-O+H2O2 2.50E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3481. IC8KETAA<=>CH2O+DC6H12CHO-D+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3482. IC8KETAB<=>IC3H7CHO+TC3H6CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3483. IC8KETAC<=>CH3COCH3+TC4H8CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3484. IC8KETAD<=>CH2O+DC6H12CHO-B+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3485. IC8KETBC<=>CH3COCH3+TC4H9CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3486. IC8KETBA<=>CH2O+IC3H7COC3H6-T+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3487. IC8KETBD<=>CH2O+TC4H9COC2H4S+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3488. IC8KETDC<=>NEOC5H11COCH3+HCO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3489. IC8KETDD<=>CH2O+HC6H12CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3490. IC8KETDB<=>TC4H9CHO+CH3CHCHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3491. IC8KETDA<=>BC6H12CHO-D+CH2O+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3492. CC8H16OH-B<=>IC8H16+OH 5.84E+16 -1.0 35400.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.03493. BC8H16OH-C<=>IC8H16+OH 6.33E+15 -0.8 34880.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.03494. CC8H16OH-D<=>JC8H16+OH 8.35E+17 -1.3 32550.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.03495. DC8H16OH-C<=>JC8H16+OH 1.03E+14 -0.4 29950.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.03496. CC8H16OH-D<=>NEOC5H11+IC3H5OH 1.62E+22 -2.5 31020.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.03497. BC8H16OH-C<=>TC4H9+IC4H7OH 3.44E+22 -2.6 32690.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9200.03498. CC8H16OH-BO2<=>CC8H16OH-B+O2 7.68E+20 -2.0 35510.0 Reverse Arrhenius coefficients: 1.50E+12 0.0 0.03499. BC8H16OH-CO2<=>BC8H16OH-C+O2 1.03E+22 -2.2 34770.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.03500. CC8H16OH-DO2<=>CC8H16OH-D+O2 1.96E+18 -1.4 34310.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 0.03501. DC8H16OH-CO2<=>DC8H16OH-C+O2 1.64E+22 -2.2 34730.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.03502. CC8H16OH-BO2<=>CC8H16O-BO2H 1.20E+12 0.0 18900.0 Reverse Arrhenius coefficients: 1.42E+15 -0.9 3590.03503. BC8H16OH-CO2<=>BC8H16O-CO2H 1.20E+12 0.0 18900.0 Reverse Arrhenius coefficients: 1.38E+15 -0.9 3580.03504. CC8H16OH-DO2<=>CC8H16O-DO2H 1.20E+12 0.0 18900.0 Reverse Arrhenius coefficients: 1.42E+15 -0.9 3580.03505. DC8H16OH-CO2<=>DC8H16O-CO2H 1.20E+12 0.0 18900.0 Reverse Arrhenius coefficients: 1.42E+15 -0.9 3590.03506. CC8H16O-BO2H<=>TC4H9CHO+CH3COCH3+OH 3.86E+23 -3.1 13000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3507. BC8H16O-CO2H<=>TC4H9CHO+CH3COCH3+OH 1.61E+23 -2.9 15090.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3508. CC8H16O-DO2H<=>NEOC5H11COCH3+CH2O+OH 8.32E+18 -1.5 17910.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3509. DC8H16O-CO2H<=>NEOC5H11COCH3+CH2O+OH 5.85E+20 -2.1 16880.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3510. IC6H13CHO-B+OH<=>IC6H13CO-B+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.57E+12 0.0 30950.03511. IC6H13CHO-B+OH<=>AC6H12CHO-B+H2O 1.53E+08 1.5 8775.0 Reverse Arrhenius coefficients: 3.17E+07 1.5 28210.03512. IC6H13CHO-B+OH<=>CC6H12CHO-B+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 4.90E+05 2.0 21860.03513. IC6H13CHO-B+OH<=>DC6H12CHO-B+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 4.90E+05 2.0 21860.03514. IC6H13CHO-B+OH<=>EC6H12CHO-B+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.09E+09 1.0 21020.03515. IC6H13CHO-B+HO2<=>IC6H13CO-B+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 4.53E+12 -0.4 12020.03516. IC6H13CHO-B+HO2<=>AC6H12CHO-B+H2O2 5.52E+04 2.5 16480.0 Reverse Arrhenius coefficients: 6.80E+04 2.2 4452.03517. IC6H13CHO-B+HO2<=>CC6H12CHO-B+H2O2 2.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.54E+03 2.6 4342.03518. IC6H13CHO-B+HO2<=>DC6H12CHO-B+H2O2 2.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.54E+03 2.6 4342.03519. IC6H13CHO-B+HO2<=>EC6H12CHO-B+H2O2 2.76E+04 2.5 16480.0 Reverse Arrhenius coefficients: 3.40E+04 2.2 4452.03520. IC6H13CHO-B+CH3O2<=>IC6H13CO-B+CH3O2H 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.86E+13 -0.5 11300.03521. IC6H13CHO-B+CH3O2<=>AC6H12CHO-B+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.41E+05 2.0 3746.03522. IC6H13CHO-B+CH3O2<=>CC6H12CHO-B+CH3O2H 1.77E+12 0.0 17050.0 Reverse Arrhenius coefficients: 4.54E+11 -0.1 6764.03523. IC6H13CHO-B+CH3O2<=>DC6H12CHO-B+CH3O2H 1.77E+12 0.0 17050.0 Reverse Arrhenius coefficients: 4.54E+11 -0.1 6764.03524. IC6H13CHO-B+CH3O2<=>EC6H12CHO-B+CH3O2H 6.03E+12 0.0 19380.0 Reverse Arrhenius coefficients: 3.05E+13 -0.5 6627.03525. IC6H13CO-B<=>BC6H13+CO 1.16E+21 -2.3 11000.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.03526. IC6H13CO-B<=>IC3H6CO+NC3H7 5.08E+20 -1.9 38720.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03527. AC6H12CHO-B<=>AC6H12+HCO 9.36E+18 -1.7 19830.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.03528. AC6H12CHO-B<=>IC3H5CHO+NC3H7 4.48E+19 -1.8 27120.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03529. CC6H12CHO-B<=>BC6H12+HCO 6.47E+17 -1.5 25210.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03530. DC6H12CHO-B<=>C3H6+TC3H6CHO 2.73E+17 -1.4 21020.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.03531. EC6H12CHO-B<=>C2H4+TC4H8CHO 5.06E+18 -1.6 30410.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 7800.03532. IC6H13CHO-D+OH<=>IC6H13CO-D+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.18E+12 0.0 30920.03533. IC6H13CHO-D+OH<=>AC6H12CHO-D+H2O 1.53E+08 1.5 8775.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 3.14E+07 1.5 28210.03534. IC6H13CHO-D+OH<=>BC6H12CHO-D+H2O 1.68E+12 0.0 -781.0 Reverse Arrhenius coefficients: 5.98E+09 0.6 23140.03535. IC6H13CHO-D+OH<=>CC6H12CHO-D+H2O 3.62E+07 1.6 -247.0 Reverse Arrhenius coefficients: 2.54E+05 2.1 21590.03536. IC6H13CHO-D+OH<=>DC6H12CHO-D+H2O 1.68E+12 0.0 -781.0 Reverse Arrhenius coefficients: 1.09E+13 -0.2 29910.03537. IC6H13CHO-D+OH<=>EC6H12CHO-D+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.08E+09 1.0 21020.03538. IC6H13CHO-D+HO2<=>IC6H13CO-D+H2O2 3.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.15E+13 -0.3 12000.03539. IC6H13CHO-D+HO2<=>AC6H12CHO-D+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.80E+04 2.2 4466.03540. IC6H13CHO-D+HO2<=>BC6H12CHO-D+H2O2 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 1.69E+09 0.2 4382.03541. IC6H13CHO-D+HO2<=>CC6H12CHO-D+H2O2 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 2.34E+11 0.1 8072.03542. IC6H13CHO-D+HO2<=>DC6H12CHO-D+H2O2 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 3.08E+12 -0.5 11150.03543. IC6H13CHO-D+HO2<=>EC6H12CHO-D+H2O2 2.76E+04 2.5 16480.0 Reverse Arrhenius coefficients: 3.36E+04 2.2 4452.03544. IC6H13CHO-D+CH3O2<=>IC6H13CO-D+CH3O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 4.42E+13 -0.5 12950.03545. IC6H13CHO-D+CH3O2<=>AC6H12CHO-D+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.38E+05 2.0 3746.03546. IC6H13CHO-D+CH3O2<=>BC6H12CHO-D+CH3O2H 3.61E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.13E+02 2.6 2274.03547. IC6H13CHO-D+CH3O2<=>CC6H12CHO-D+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.66E+03 2.5 3562.03548. IC6H13CHO-D+CH3O2<=>DC6H12CHO-D+CH3O2H 3.61E+03 2.5 10030.0 Reverse Arrhenius coefficients: 5.70E+05 1.9 8544.03549. IC6H13CHO-D+CH3O2<=>EC6H12CHO-D+CH3O2H 6.03E+12 0.0 19380.0 Reverse Arrhenius coefficients: 3.02E+13 -0.5 6627.03550. IC6H13CO-D<=>DC6H13+CO 3.73E+18 -1.6 12840.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.03551. IC6H13CO-D<=>CH3CHCO+IC4H9 3.83E+19 -1.6 39740.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03552. AC6H12CHO-D<=>C3H6+IC3H6CHO 8.43E+18 -1.6 32600.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03553. BC6H12CHO-D<=>IC4H8+CH3CHCHO 1.97E+17 -1.5 23960.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.03554. CC6H12CHO-D<=>CC6H12+HCO 2.81E+15 -0.9 26460.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03555. DC6H12CHO-D<=>IC3H5CHO+IC3H7 7.83E+15 -0.6 31510.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.03556. EC6H12CHO-D<=>DC6H12+HCO 3.84E+16 -1.2 26660.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03557. IC3H7COC3H7-I+OH<=>IC3H7COC3H6-I+H2O 3.06E+08 1.5 8775.0 Reverse Arrhenius coefficients: 3.08E+07 1.5 28210.03558. IC3H7COC3H7-I+OH<=>IC3H7COC3H6-T+H2O 3.37E+12 0.0 -781.0 Reverse Arrhenius coefficients: 1.16E+13 -0.1 29830.03559. IC3H7COC3H7-I+HO2<=>IC3H7COC3H6-I+H2O2 5.48E+04 2.5 15500.0 Reverse Arrhenius coefficients: 3.27E+04 2.2 3472.03560. IC3H7COC3H7-I+HO2<=>IC3H7COC3H6-T+H2O2 1.60E+11 0.0 11920.0 Reverse Arrhenius coefficients: 3.26E+12 -0.4 11070.03561. IC3H7COC3H7-I+CH3O2<=>IC3H7COC3H6-I+CH3O2H 4.00E+04 2.5 15500.0 Reverse Arrhenius coefficients: 9.81E+04 2.0 2752.03562. IC3H7COC3H7-I+CH3O2<=>IC3H7COC3H6-T+CH3O2H 7.22E+03 2.5 8032.0 Reverse Arrhenius coefficients: 6.04E+05 2.0 6464.03563. IC3H7COC3H6-I<=>C3H6+IC3H7CO 1.86E+19 -1.7 28050.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03564. IC3H7COC3H6-T<=>IC3H6CO+IC3H7 1.22E+17 -0.6 42050.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.03565. TC4H9COC2H5+OH<=>TC4H8COC2H5+H2O 2.29E+08 1.5 775.0 Reverse Arrhenius coefficients: 4.72E+07 1.5 20210.03566. TC4H9COC2H5+OH<=>TC4H9COC2H4P+H2O 5.72E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.18E+09 1.0 21020.03567. TC4H9COC2H5+OH<=>TC4H9COC2H4S+H2O 8.95E+11 0.0 -228.0 Reverse Arrhenius coefficients: 1.59E+13 -0.2 28620.03568. TC4H9COC2H5+HO2<=>TC4H8COC2H5+H2O2 3.01E+04 2.5 15500.0 Reverse Arrhenius coefficients: 3.68E+04 2.2 3472.03569. TC4H9COC2H5+HO2<=>TC4H9COC2H4P+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.91E+04 2.2 4462.03570. TC4H9COC2H5+HO2<=>TC4H9COC2H4S+H2O2 2.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 2.11E+13 -0.6 6080.03571. TC4H9COC2H5+CH3O2<=>TC4H8COC2H5+CH3O2H 3.01E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.51E+05 2.0 2752.03572. TC4H9COC2H5+CH3O2<=>TC4H9COC2H4P+CH3O2H 3.01E+12 0.0 19380.0 Reverse Arrhenius coefficients: 1.51E+13 -0.5 6632.03573. TC4H9COC2H5+CH3O2<=>TC4H9COC2H4S+CH3O2H 2.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 8.65E+14 -0.7 11910.03574. TC4H8COC2H5<=>IC4H8+C2H5CO 2.90E+22 -2.7 27530.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03575. TC4H8COC2H5<=>IC3H5COC2H5+CH3 2.73E+16 -1.1 28110.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03576. TC4H9COC2H4P<=>C2H4+TC4H9CO 2.70E+17 -1.5 26110.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 7800.03577. TC4H9COC2H4S<=>CH3CHCO+TC4H9 4.60E+20 -1.9 38250.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03578. NEOC5H11COCH3+OH<=>NEOC5H11COCH2+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 1.08E+11 0.0 20630.03579. NEOC5H11COCH3+OH<=>NEOC5H10COCH3+H2O 2.29E+08 1.5 775.0 Reverse Arrhenius coefficients: 4.84E+07 1.5 20210.03580. NEOC5H11COCH3+OH<=>TC4H9CHCOCH3+H2O 8.95E+11 0.0 -228.0 Reverse Arrhenius coefficients: 1.82E+13 -0.2 28640.03581. NEOC5H11COCH3+HO2<=>TC4H9CHCOCH3+H2O2 2.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 2.42E+13 -0.6 6100.03582. NEOC5H11COCH3+HO2<=>NEOC5H11COCH2+H2O2 2.38E+04 2.5 15500.0 Reverse Arrhenius coefficients: 2.98E+04 2.2 3472.03583. NEOC5H11COCH3+HO2<=>NEOC5H10COCH3+H2O2 3.01E+04 2.5 15500.0 Reverse Arrhenius coefficients: 3.78E+04 2.2 3472.03584. NEOC5H11COCH3+CH3O2<=>NEOC5H11COCH2+CH3O2H 3.01E+13 0.0 17580.0 Reverse Arrhenius coefficients: 1.55E+14 -0.5 4832.03585. NEOC5H11COCH3+CH3O2<=>NEOC5H10COCH3+CH3O2H 3.01E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.55E+05 2.0 2752.03586. NEOC5H11COCH3+CH3O2<=>TC4H9CHCOCH3+CH3O2H 2.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 9.94E+14 -0.7 11930.03587. NEOC5H11COCH2<=>CH2CO+NEOC5H11 7.58E+16 -1.1 36710.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.03588. NEOC5H10COCH3<=>IC4H8+CH3COCH2 1.27E+21 -2.3 28580.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03589. NEOC5H10COCH3<=>IC4H7COCH3+CH3 2.33E+17 -1.2 32560.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03590. TC4H9CHCOCH3<=>IC3H6CHCOCH3+CH3 1.90E+18 -1.3 34130.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03591. NEOC6H13CHO+OH<=>NEOC6H13CO+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 30940.03592. NEOC6H13CHO+OH<=>GC6H12CHO+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 1.20E+06 1.9 21990.03593. NEOC6H13CHO+OH<=>HC6H12CHO+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 1.17E+09 1.3 28870.03594. NEOC6H13CHO+OH<=>FC6H12CHO+H2O 1.29E+10 1.1 1810.0 Reverse Arrhenius coefficients: 2.53E+09 1.1 21250.03595. NEOC6H13CHO+HO2<=>NEOC6H13CO+H2O2 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.18E+13 -0.3 13690.03596. NEOC6H13CHO+HO2<=>GC6H12CHO+H2O2 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 2.25E+03 2.5 4472.03597. NEOC6H13CHO+HO2<=>HC6H12CHO+H2O2 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 1.19E+13 -0.6 9362.03598. NEOC6H13CHO+HO2<=>FC6H12CHO+H2O2 1.68E+13 0.0 19400.0 Reverse Arrhenius coefficients: 1.96E+13 -0.3 7372.03599. NEOC6H13CHO+CH3O2<=>NEOC6H13CO+CH3O2H 1.00E+12 0.0 9500.0 Reverse Arrhenius coefficients: 1.74E+13 -0.5 8872.03600. NEOC6H13CHO+CH3O2<=>GC6H12CHO+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 1.25E+12 -0.3 6894.03601. NEOC6H13CHO+CH3O2<=>HC6H12CHO+CH3O2H 8.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 4.90E+13 -0.8 8642.03602. NEOC6H13CHO+CH3O2<=>FC6H12CHO+CH3O2H 1.68E+13 0.0 19400.0 Reverse Arrhenius coefficients: 8.04E+13 -0.5 6652.03603. NEOC6H13CO<=>HC6H13+CO 1.82E+16 -1.2 13370.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.03604. NEOC6H13CO<=>NEOC5H11+CH2CO 2.04E+17 -1.2 37200.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.03605. GC6H12CHO<=>NEOC6H12+HCO 3.45E+14 -0.8 25460.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.03606. HC6H12CHO<=>C2H3CHO+TC4H9 6.88E+19 -1.8 27690.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.03607. FC6H12CHO<=>IC4H8+CH2CH2CHO 8.24E+22 -2.7 32770.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.03608. IC4H7COCH3+OH<=>IC4H7COCH2+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 6.01E+13 -0.7 27660.03609. IC4H7COCH3+OH<=>IC3H5CHCOCH3+H2O 8.45E+11 0.0 -228.0 Reverse Arrhenius coefficients: 1.44E+13 -0.2 28620.03610. IC4H7COCH3+OH<=>AC3H4CH2COCH3+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 5.43E+08 1.4 32460.03611. IC4H7COCH3+HO2<=>IC4H7COCH2+H2O2 2.38E+04 2.5 14690.0 Reverse Arrhenius coefficients: 1.66E+07 1.5 9691.03612. IC4H7COCH3+HO2<=>IC3H5CHCOCH3+H2O2 2.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 2.03E+13 -0.5 6080.03613. IC4H7COCH3+HO2<=>AC3H4CH2COCH3+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 9.96E+06 1.7 15210.03614. IC4H7COCH3+CH3O2<=>IC4H7COCH2+CH3O2H 3.01E+12 0.0 19380.0 Reverse Arrhenius coefficients: 8.65E+15 -1.2 13660.03615. IC4H7COCH3+CH3O2<=>IC3H5CHCOCH3+CH3O2H 2.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 8.34E+14 -0.7 11910.03616. IC4H7COCH3+CH3O2<=>AC3H4CH2COCH3+CH3O2H 3.01E+12 0.0 19380.0 Reverse Arrhenius coefficients: 1.28E+16 -1.1 19950.03617. IC4H7COCH2<=>IC4H7+CH2CO 1.16E+19 -1.8 39180.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 8600.03618. IC3H5CHCOCH3<=>C4H6+CH3CO 4.28E+19 -1.8 36750.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 13000.03619. AC3H4CH2COCH3<=>C3H4-A+CH3COCH2 6.84E+21 -2.5 53970.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 9600.03620. XC7H13OOH-X1<=>XC7H13O-X1+OH 2.02E+20 -1.6 47710.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.03621. YC7H13OOH-X1<=>YC7H13O-X1+OH 4.18E+20 -1.7 47810.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.03622. XC7H13OOH-Z<=>XC7H13O-Z+OH 3.76E+21 -1.9 46430.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.03623. XC7H13OOH-Y2<=>XC7H13O-Y2+OH 8.65E+19 -1.3 46020.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.03624. YC7H13OOH-X2<=>YC7H13O-X2+OH 1.88E+20 -1.5 47030.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.03625. OC7H13OOH-N<=>OC7H13O-N+OH 1.83E+20 -1.5 47020.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.03626. OC7H13OOH-Q<=>OC7H13O-Q+OH 4.19E+20 -1.7 47840.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.03627. PC7H13OOH-O<=>PC7H13O-O+OH 8.22E+19 -1.2 42490.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.03628. XC7H13O-X1<=>CH2O+DC6H11-D 2.90E+21 -2.4 34880.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.03629. YC7H13O-X1<=>CH2O+CC6H11-D 2.66E+21 -2.4 34870.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.03630. XC7H13O-Y2<=>CH3COCH3+IC4H7 4.26E+19 -1.7 16530.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.03631. YC7H13O-X2<=>CH2O+CC6H11-B 5.29E+25 -2.1 35170.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.03632. OC7H13O-N<=>CH2O+CC6H11-B 1.14E+18 -1.8 2305.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.03633. OC7H13O-Q<=>CH2O+NEOC6H11 2.72E+16 -1.0 29510.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.03634. CC6H11-D<=>C3H4-P+IC3H7 4.79E+12 0.3 28960.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.03635. DC6H11-D<=>C3H4-A+IC3H7 2.69E+16 -0.9 30540.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.03636. IC4H6OH+H2O<=>IC4H7OH+OH 5.88E+06 1.9 30240.0 Reverse Arrhenius coefficients: 3.12E+06 2.0 -298.03637. IC4H6OH+CH4<=>IC4H7OH+CH3 3.57E+02 3.1 22870.0 Reverse Arrhenius coefficients: 2.21E+00 3.5 5675.03638. IC4H6OH+C3H6<=>IC4H7OH+C3H5-A 2.51E+02 3.2 18640.0 Reverse Arrhenius coefficients: 5.75E+02 3.1 18660.03639. IC4H6OH+CH3CHO<=>IC4H7OH+CH3CO 1.36E+09 1.4 17940.0 Reverse Arrhenius coefficients: 5.30E+06 2.0 16240.0

SUPPLEMENTAL MATERIAL3640. C3H5-A+CH2O<=>C3H6+HCO 6.30E+08 1.9 18190.0 Reverse Arrhenius coefficients: 9.16E+06 2.2 17700.03641. IC3H6CHCOCH3+OH<=>AC3H5CHCOCH3+H2O 1.53E+08 1.5 8775.0 Reverse Arrhenius coefficients: 1.34E+10 1.0 41430.03642. IC3H6CHCOCH3+OH<=>IC3H6CHCOCH2+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 6.12E+07 -0.5 28070.03643. IC3H6CHCOCH3+OH<=>IC3H7CHO+CH3CO 1.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 3.84E+06 1.0 15550.03644. IC3H6CHCOCH3+HO2<=>AC3H5CHCOCH3+H2O2 2.74E+04 2.5 15500.0 Reverse Arrhenius coefficients: 1.42E+07 1.7 16690.03645. IC3H6CHCOCH3+HO2<=>IC3H6CHCOCH2+H2O2 2.38E+04 2.5 14690.0 Reverse Arrhenius coefficients: 1.69E+01 1.8 10110.03646. IC3H6CHCOCH3+CH3O2<=>AC3H5CHCOCH3+CH3O2H 5.00E+10 0.0 11920.0 Reverse Arrhenius coefficients: 1.07E+14 -1.0 12390.03647. IC3H6CHCOCH3+CH3O2<=>IC3H6CHCOCH2+CH3O2H 3.01E+12 0.0 17580.0 Reverse Arrhenius coefficients: 8.81E+09 -1.0 12270.03648. AC3H5CHCOCH3+HO2<=>IC3H5CHO+CH3CO+OH 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.00E+00 0.0 0.03649. IC3H6CHCOCH2<=>IC4H7+CH2CO 1.40E+14 -1.6 50750.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 11900.03650. NC5H12<=>C5H11-1+H 1.38E+17 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.03651. NC5H12<=>C5H11-2+H 3.32E+18 -0.8 98800.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.03652. NC5H12<=>C5H11-3+H 1.60E+18 -0.8 98790.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.03653. NC5H12<=>CH3+PC4H9 6.10E+22 -1.9 89430.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.03654. NC5H12<=>NC3H7+C2H5 3.08E+24 -2.3 88440.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.03655. NC5H12+H<=>C5H11-1+H2 1.88E+05 2.8 6280.0 Reverse Arrhenius coefficients: 1.97E+01 3.4 8610.03656. NC5H12+H<=>C5H11-2+H2 2.60E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.13E+01 3.4 9236.03657. NC5H12+H<=>C5H11-3+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.17E+01 3.4 9244.03658. NC5H12+OH<=>C5H11-1+H2O 1.05E+10 1.0 1590.0 Reverse Arrhenius coefficients: 1.17E+07 1.5 18810.03659. NC5H12+OH<=>C5H11-2+H2O 9.34E+07 1.6 -35.0 Reverse Arrhenius coefficients: 4.30E+03 2.5 19620.03660. NC5H12+OH<=>C5H11-3+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 4.46E+03 2.5 19630.03661. NC5H12+O<=>C5H11-1+OH 2.09E+06 2.4 4766.0 Reverse Arrhenius coefficients: 1.14E+02 3.0 5684.03662. NC5H12+O<=>C5H11-2+OH 1.19E+06 2.4 2846.0 Reverse Arrhenius coefficients: 2.68E+00 3.5 6199.03663. NC5H12+O<=>C5H11-3+OH 5.95E+05 2.4 2846.0 Reverse Arrhenius coefficients: 2.78E+00 3.5 6207.03664. NC5H12+CH3<=>C5H11-1+CH4 9.04E-01 3.6 7154.0 Reverse Arrhenius coefficients: 8.65E-02 3.8 11020.03665. NC5H12+CH3<=>C5H11-2+CH4 1.68E+05 2.1 7574.0 Reverse Arrhenius coefficients: 6.65E+02 2.7 13880.03666. NC5H12+CH3<=>C5H11-3+CH4 8.40E+04 2.1 7574.0 Reverse Arrhenius coefficients: 6.90E+02 2.7 13890.03667. NC5H12+HO2<=>C5H11-1+H2O2 4.08E+01 3.6 17160.0 Reverse Arrhenius coefficients: 2.48E+00 3.5 3490.03668. NC5H12+HO2<=>C5H11-2+H2O2 1.26E+02 3.4 13720.0 Reverse Arrhenius coefficients: 3.17E-01 3.7 2483.03669. NC5H12+HO2<=>C5H11-3+H2O2 6.32E+01 3.4 13720.0 Reverse Arrhenius coefficients: 3.29E-01 3.7 2491.03670. NC5H12+CH3O2<=>C5H11-1+CH3O2H 4.08E+01 3.6 17160.0 Reverse Arrhenius coefficients: 4.82E+01 3.1 1895.03671. NC5H12+CH3O2<=>C5H11-2+CH3O2H 1.26E+02 3.4 13720.0 Reverse Arrhenius coefficients: 6.17E+00 3.3 888.03672. NC5H12+CH3O2<=>C5H11-3+CH3O2H 6.32E+01 3.4 13720.0 Reverse Arrhenius coefficients: 6.41E+00 3.3 896.03673. NC5H12+C2H5<=>C5H11-1+C2H6 1.00E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.03674. NC5H12+C2H5<=>C5H11-2+C2H6 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.03675. NC5H12+C2H5<=>C5H11-3+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.03676. NC5H12+C2H3<=>C5H11-1+C2H4 1.00E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.60E+12 0.0 25400.03677. NC5H12+C2H3<=>C5H11-2+C2H4 8.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.03678. NC5H12+C2H3<=>C5H11-3+C2H4 4.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.03679. NC5H12+C5H11-1<=>C5H11-2+NC5H12 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.03680. NC5H12+C5H11-1<=>C5H11-3+NC5H12 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.03681. NC5H12+C5H11-2<=>C5H11-3+NC5H12 5.00E+10 0.0 12300.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12300.03682. NC5H12+O2CHO<=>C5H11-1+HO2CHO 1.68E+13 0.0 20440.0 Reverse Arrhenius coefficients: 1.37E+00 3.1 2295.03683. NC5H12+O2CHO<=>C5H11-2+HO2CHO 1.12E+13 0.0 17690.0 Reverse Arrhenius coefficients: 4.31E+03 2.1 4147.03684. NC5H12+O2CHO<=>C5H11-3+HO2CHO 5.60E+12 0.0 17690.0 Reverse Arrhenius coefficients: 4.32E+03 2.1 4149.03685. NC5H12+CH3O<=>C5H11-1+CH3OH 3.00E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.03686. NC5H12+CH3O<=>C5H11-2+CH3OH 2.20E+11 0.0 5000.0 Reverse Arrhenius coefficients: 9.00E+09 0.0 7200.03687. NC5H12+CH3O<=>C5H11-3+CH3OH 1.10E+11 0.0 5000.0 Reverse Arrhenius coefficients: 9.00E+09 0.0 7200.03688. NC5H12+O2<=>C5H11-1+HO2 4.20E+13 0.0 52800.0 Reverse Arrhenius coefficients: 2.31E+10 0.3 446.03689. NC5H12+O2<=>C5H11-2+HO2 2.80E+13 0.0 50160.0 Reverse Arrhenius coefficients: 6.37E+08 0.7 231.03690. NC5H12+O2<=>C5H11-3+HO2 1.40E+13 0.0 50160.0 Reverse Arrhenius coefficients: 6.61E+08 0.7 239.03691. C5H11-1<=>C2H4+NC3H7 3.20E+12 0.5 29430.0 Reverse Arrhenius coefficients: 8.80E+03 2.5 6130.03692. C5H11-1<=>H+C5H10-1 3.35E+11 0.6 35640.0 Reverse Arrhenius coefficients: 2.50E+11 0.5 2620.03693. C5H11-1<=>C5H11-2 3.88E+09 0.4 19760.0 Reverse Arrhenius coefficients: 1.60E+08 0.8 22200.03694. C5H11-2<=>C3H6+C2H5 1.22E+12 0.6 29360.0 Reverse Arrhenius coefficients: 8.80E+03 2.5 6130.03695. C5H11-2<=>C5H10-1+H 2.35E+10 1.0 36680.0 Reverse Arrhenius coefficients: 4.24E+11 0.5 1230.03696. C5H11-2<=>C5H10-2+H 3.99E+11 0.4 35220.0 Reverse Arrhenius coefficients: 2.50E+11 0.5 2620.03697. C5H11-3<=>C4H8-1+CH3 6.34E+10 1.1 30460.0 Reverse Arrhenius coefficients: 1.76E+04 2.5 6130.03698. C5H11-3<=>C5H10-2+H 8.28E+11 0.4 35230.0 Reverse Arrhenius coefficients: 2.50E+11 0.5 2620.03699. C5H10-1<=>C2H5+C3H5-A 1.00E+16 0.0 71000.03700. C5H10-2<=>CH3+C4H71-3 1.00E+16 0.0 73000.03701. C5H91-3+H<=>C5H10-1 1.00E+14 0.0 0.03702. C5H91-3+H<=>C5H10-2 1.00E+14 0.0 0.03703. C5H92-4+H<=>C5H10-2 1.00E+14 0.0 0.03704. C5H10-1+H<=>C5H91-3+H2 3.38E+05 2.4 207.03705. C5H10-1+H<=>C5H91-4+H2 1.30E+06 2.4 4471.03706. C5H10-1+H<=>C5H91-5+H2 6.65E+05 2.5 6756.03707. C5H10-1+O<=>C5H91-3+OH 6.60E+05 2.4 1210.03708. C5H10-1+O<=>C5H91-4+OH 5.51E+05 2.5 2830.03709. C5H10-1+O<=>C5H91-5+OH 9.80E+05 2.4 4750.03710. C5H10-1+OH<=>C5H91-3+H2O 2.76E+04 2.6 -1919.03711. C5H10-1+OH<=>C5H91-4+H2O 4.67E+07 1.6 -35.03712. C5H10-1+OH<=>C5H91-5+H2O 5.27E+09 1.0 1586.03713. C5H10-1+CH3<=>C5H91-3+CH4 3.69E+00 3.3 4002.03714. C5H10-1+CH3<=>C5H91-4+CH4 1.51E+00 3.5 5481.03715. C5H10-1+CH3<=>C5H91-5+CH4 4.52E-01 3.6 7154.03716. C5H10-1+O2<=>C5H91-3+HO2 2.20E+12 0.0 37220.03717. C5H10-1+O2<=>C5H91-4+HO2 2.00E+13 0.0 49640.03718. C5H10-1+O2<=>C5H91-5+HO2 3.00E+13 0.0 52290.03719. C5H10-1+HO2<=>C5H91-3+H2O2 4.82E+03 2.5 10530.03720. C5H10-1+HO2<=>C5H91-4+H2O2 9.64E+03 2.6 13910.03721. C5H10-1+HO2<=>C5H91-5+H2O2 2.38E+04 2.5 16490.03722. C5H10-1+CH3O2<=>C5H91-3+CH3O2H 4.82E+03 2.5 10530.03723. C5H10-1+CH3O2<=>C5H91-4+CH3O2H 9.64E+03 2.6 13910.03724. C5H10-1+CH3O2<=>C5H91-5+CH3O2H 2.38E+04 2.5 16490.03725. C5H10-1+CH3O<=>C5H91-3+CH3OH 4.00E+01 2.9 8609.03726. C5H10-1+CH3O<=>C5H91-4+CH3OH 1.45E+11 0.0 4571.03727. C5H10-1+CH3O<=>C5H91-5+CH3OH 2.17E+11 0.0 6458.03728. C5H10-2+H<=>C5H91-3+H2 1.73E+05 2.5 2492.03729. C5H10-2+H<=>C5H92-4+H2 3.38E+05 2.4 207.03730. C5H10-2+H<=>C5H92-5+H2 6.65E+05 2.5 6756.03731. C5H10-2+O<=>C5H91-3+OH 4.41E+05 2.4 3150.03732. C5H10-2+O<=>C5H92-4+OH 9.90E+05 2.4 1210.03733. C5H10-2+O<=>C5H92-5+OH 9.80E+05 2.4 4750.03734. C5H10-2+OH<=>C5H91-3+H2O 3.12E+06 2.0 -1298.03735. C5H10-2+OH<=>C5H92-4+H2O 2.76E+04 2.6 -1919.03736. C5H10-2+OH<=>C5H92-5+H2O 5.27E+09 1.0 1586.03737. C5H10-2+CH3<=>C5H91-3+CH4 2.21E+00 3.5 5675.03738. C5H10-2+CH3<=>C5H92-4+CH4 3.69E+00 3.3 4002.03739. C5H10-2+CH3<=>C5H92-5+CH4 4.52E-01 3.6 7154.03740. C5H10-2+O2<=>C5H91-3+HO2 3.30E+12 0.0 39900.03741. C5H10-2+O2<=>C5H92-4+HO2 2.20E+12 0.0 37220.03742. C5H10-2+O2<=>C5H92-5+HO2 3.00E+13 0.0 52290.03743. C5H10-2+HO2<=>C5H91-3+H2O2 2.70E+04 2.5 12340.03744. C5H10-2+HO2<=>C5H92-4+H2O2 4.82E+03 2.5 10530.03745. C5H10-2+HO2<=>C5H92-5+H2O2 2.38E+04 2.5 16490.03746. C5H10-2+CH3O2<=>C5H91-3+CH3O2H 9.64E+03 2.6 13910.03747. C5H10-2+CH3O2<=>C5H92-4+CH3O2H 4.82E+03 2.5 10530.03748. C5H10-2+CH3O2<=>C5H92-5+CH3O2H 2.38E+04 2.5 16490.03749. C5H10-2+CH3O<=>C5H91-3+CH3OH 9.00E+01 3.0 11990.03750. C5H10-2+CH3O<=>C5H92-4+CH3OH 4.00E+01 2.9 8609.03751. C5H10-2+CH3O<=>C5H92-5+CH3OH 2.17E+11 0.0 6458.03752. C5H91-3+HO2<=>C5H9O1-3+OH 9.64E+12 0.0 0.03753. C5H91-3+CH3O2<=>C5H9O1-3+CH3O 9.64E+12 0.0 0.03754. C5H91-3+C2H5O2<=>C5H9O1-3+C2H5O 9.64E+12 0.0 0.03755. C5H92-4+HO2<=>C5H9O2-4+OH 9.64E+12 0.0 0.03756. C5H92-4+CH3O2<=>C5H9O2-4+CH3O 9.64E+12 0.0 0.03757. C5H92-4+C2H5O2<=>C5H9O2-4+C2H5O 9.64E+12 0.0 0.03758. C4H6+CH3=C5H91-3 1.20E+11 0.0 7500.03759. C3H6+C2H3<=>C5H91-4 6.30E+11 0.0 3100.03760. C2H4+C3H5-A<=>C5H91-5 4.00E+11 0.0 13050.03761. C3H5-T+C2H4=C5H92-5 6.30E+11 0.0 3100.03762. C5H81-3+H<=>C5H91-3 2.50E+11 0.5 2620.03763. C5H81-3+H<=>C5H91-4 2.50E+11 0.5 2620.03764. C5H81-3+H<=>C5H92-4 2.50E+11 0.5 2620.03765. C5H9O1-3<=>C2H3CHO+C2H5 3.13E+19 -1.9 10670.03766. C5H9O1-3<=>C2H5CHO+C2H3 1.42E+18 -1.6 23340.03767. C5H9O2-4<=>CH3CHO+C3H5-S 1.07E+22 -2.7 29650.03768. C5H81-3+OH<=>CH2O+C4H71-3 1.00E+12 0.0 0.03769. C5H81-3+OH<=>C2H3CHO+C2H5 1.00E+12 0.0 0.03770. C5H81-3+OH<=>CH3CHO+C3H5-S 1.00E+12 0.0 0.03771. C5H10-1+OH<=>C5H10OH-1 1.00E+13 0.0 0.03772. C5H10OH-1+O2<=>O2C5H10OH-1 6.00E+12 0.0 0.03773. O2C5H10OH-1<=>NC3H7CHO+CH2O+OH 2.00E+12 0.0 26800.03774. C5H10-2+OH<=>C5H10OH-2 1.00E+13 0.0 0.03775. C5H10OH-2+O2<=>O2C5H10OH-2 6.00E+12 0.0 0.03776. O2C5H10OH-2<=>C2H5CHO+CH3CHO+OH 2.00E+12 0.0 26800.03777. C4H71-4+CH3=C5H10-1 1.00E+13 0.0 0.03778. C5H91-3+O2=C5H92O2-1 2.00E+12 0.0 0.03779. C5H91-3+O2=C5H91O2-3 2.00E+12 0.0 0.03780. C5H91-4+O2=C5H91O2-4 7.54E+12 0.0 0.03781. C5H91-5+O2=C5H91O2-5 4.52E+12 0.0 0.03782. C5H92-4+O2=C5H92O2-4 2.00E+12 0.0 0.03783. C5H92-5+O2=C5H92O2-5 4.52E+12 0.0 0.03784. C5H91-5<=>C5H91-3 3.80E+10 0.7 28400.03785. C5H91O2-3<=>C5H81-3+HO2 1.00E+39 -8.1 40500.03786. C5H91O2-4<=>C5H81-3+HO2 5.04E+38 -8.1 38500.03787. C5H91O2-4<=>C5H81-4+HO2 1.01E+43 -9.4 41500.03788. C5H91O2-5<=>C5H81-4+HO2 1.00E+39 -8.1 40500.03789. C5H92O2-4<=>C5H81-3+HO2 1.01E+43 -9.4 41500.03790. C5H92O2-5<=>C5H81-3+HO2 5.04E+38 -8.1 38500.03791. C5H91O2-3=C5H81OOH3-4 2.00E+11 0.0 26450.03792. C5H91O2-3=C5H81OOH3-5 3.75E+10 0.0 24000.03793. C5H91O2-4=C5H81OOH4-3 1.00E+11 0.0 23450.0

SUPPLEMENTAL MATERIAL3794. C5H91O2-4=C5H81OOH4-5 3.00E+11 0.0 29000.03795. C5H91O2-5=C5H81OOH5-4 2.00E+11 0.0 26450.03796. C5H91O2-5=C5H81OOH5-3 1.25E+10 0.0 17450.03797. C5H92O2-5=C5H82OOH5-4 1.00E+11 0.0 23450.03798. C5H92O2-4=C5H82OOH4-5 3.00E+11 0.0 29000.03799. HO2+C5H81-3=>CY3C5H8O+OH 4.85E+11 0.0 12700.03800. HO2+C5H81-4=>CY3C5H8O+OH 4.85E+11 0.0 12700.03801. HO2+C5H81-3<=>C5H81OOH3-4 1.00E+11 0.0 12000.03802. HO2+C5H81-3<=>C5H81OOH4-3 1.00E+11 0.0 11000.03803. HO2+C5H81-4<=>C5H81OOH4-5 2.00E+10 0.0 13700.03804. HO2+C5H81-4<=>C5H81OOH5-4 2.00E+10 0.0 13700.03805. HO2+C5H81-3<=>C5H82OOH4-5 1.00E+11 0.0 13700.03806. HO2+C5H81-3<=>C5H81OOH5-4 1.00E+11 0.0 13700.03807. C5H81OOH3-5=C2H4+C2H3CHO+OH 3.00E+13 0.0 30000.03808. C5H81OOH4-3=CH3+C2H2+C2H3OOH 3.00E+13 0.0 37500.03809. C5H81OOH4-5=C3H5-A+C2H3OOH 3.00E+13 0.0 25000.03810. C5H81OOH5-3=C4H6+CH2O+OH 3.00E+13 0.0 35000.03811. C5H82OOH4-5=C3H5-T+C2H3OOH 3.00E+13 0.0 37500.03812. C5H81OOH3-4+O2=C5H81OOH3-4O2 7.54E+12 0.0 0.03813. C5H81OOH3-5+O2=C5H81OOH3-5O2 4.52E+12 0.0 0.03814. C5H81OOH4-3+O2=C5H81OOH4-3O2 2.00E+12 0.0 0.03815. C5H81OOH4-5+O2=C5H81OOH4-5O2 4.52E+12 0.0 0.03816. C5H81OOH5-3+O2=C5H81OOH5-3O2 2.00E+12 0.0 0.03817. C5H81OOH5-4+O2=C5H81OOH5-4O2 7.54E+12 0.0 0.03818. C5H82OOH4-5+O2=C5H82OOH4-5O2 4.52E+12 0.0 0.03819. C5H82OOH5-4+O2=C5H82OOH5-4O2 2.00E+12 0.0 0.03820. C5H81OOH3-4O2=>NC5D1KET34+OH 5.00E+10 0.0 20450.03821. C5H81OOH3-5O2=>NC5D1KET35+OH 6.25E+09 0.0 14450.03822. C5H81OOH4-3O2=>NC5D1KET43+OH 1.00E+11 0.0 23450.03823. C5H81OOH4-5O2=>NC5D1KET45+OH 1.00E+11 0.0 23450.03824. C5H81OOH5-3O2=>NC5D1KET53+OH 2.50E+10 0.0 21000.03825. C5H81OOH5-4O2=>NC5D1KET54+OH 2.00E+11 0.0 26150.03826. C5H82OOH4-5O2=>NC5D2KET45+OH 5.00E+10 0.0 20450.03827. C5H82OOH5-4O2=>NC5D2KET54+OH 2.00E+11 0.0 26150.03828. NC5D1KET34=>OH+C2H3CO+CH3CHO 1.00E+16 0.0 39000.03829. NC5D1KET35=>OH+HCO+C2H3COCH3 1.00E+16 0.0 39000.03830. NC5D1KET43=>OH+C2H3CHO+CH3CO 1.00E+16 0.0 39000.03831. NC5D1KET45=>OH+HCO+C2H3COCH3 1.00E+16 0.0 39000.03832. NC5D1KET53=>OH+C2H3CHO+CH2CHO 1.00E+16 0.0 39000.03833. NC5D1KET54=>OH+HCO+C2H3COCH3 1.00E+16 0.0 39000.03834. NC5D2KET45=>OH+AC3H5CO+CH2O 1.00E+16 0.0 39000.03835. NC5D2KET54=>OH+HCO+C2H3COCH3 1.00E+16 0.0 39000.03836. C5H81OOH3-4=>CY3C5H8O+OH 6.00E+11 0.0 22000.03837. C5H81OOH3-5=>CY3C5H8O+OH 7.50E+10 0.0 15250.03838. C5H81OOH4-3=>CY3C5H8O+OH 9.38E+09 0.0 7000.03839. C5H81OOH4-5=>CY3C5H8O+OH 6.00E+11 0.0 22000.03840. C5H81OOH5-3=>CY3C5H8O+OH 7.50E+10 0.0 15250.03841. C5H81OOH5-4=>CY3C5H8O+OH 6.00E+11 0.0 22000.03842. C5H82OOH5-4=>CY3C5H8O+OH 9.38E+09 0.0 7000.03843. C5H82OOH4-5=>CY3C5H8O+OH 6.00E+11 0.0 22000.03844. O2+CY3C5H8O=>HO2+C2H3CHO+C2H3 2.04E+07 2.0 40722.53845. H+CY3C5H8O=>H2+C2H3CHO+C2H3 2.57E+07 2.0 3950.63846. OH+CY3C5H8O=>H2O+C2H3CHO+C2H3 4.79E+06 2.0 -2259.83847. O+CY3C5H8O=>OH+C2H3CHO+C2H3 1.62E+07 2.0 2579.53848. HO2+CY3C5H8O=>H2O2+C2H3CHO+C2H3 6.46E+05 2.0 11887.73849. HCO+CY3C5H8O=>CH2O+C2H3CHO+C2H3 1.52E+06 2.0 12360.43850. CH3+CY3C5H8O=>CH4+C2H3CHO+C2H3 4.68E+05 2.0 4871.33851. C2H5+CY3C5H8O=>C2H6+C2H3CHO+C2H3 2.76E+05 2.0 7658.13852. CH3O+CY3C5H8O=>CH3OH+C2H3CHO+C2H3 5.14E+05 2.0 1583.63853. CH3O2+CY3C5H8O=>CH3O2H+C2H3CHO+C2H3 9.13E+05 2.0 12360.43854. C5H81-3+H<=>C5H91-1 4.25E+11 0.5 1230.03855. C5H81-4+H<=>C5H91-4 2.50E+11 0.5 2620.03856. C5H81-3+O=>C4H71-3+HCO 2.00E+11 0.0 -1050.03857. C5H81-4+O=>C4H71-4+HCO 2.00E+11 0.0 -1050.03858. C5H81-4+OH=>C3H5-A+CH3CHO 2.00E+12 0.0 0.03859. C5H11-1+O2<=>C5H10-1+HO2 8.37E-01 3.6 11960.0 Reverse Arrhenius coefficients: 1.31E+00 3.4 27810.03860. C5H11-2+O2<=>C5H10-1+HO2 5.35E-01 3.7 9322.0 Reverse Arrhenius coefficients: 2.02E+01 3.1 22740.03861. C5H11-2+O2<=>C5H10-2+HO2 1.07E+00 3.7 9322.0 Reverse Arrhenius coefficients: 1.41E+00 3.7 25590.03862. C5H11-3+O2<=>C5H10-2+HO2 2.14E+00 3.7 9322.0 Reverse Arrhenius coefficients: 1.35E+00 3.7 25580.03863. C5H11-1+HO2<=>C5H11O-1+OH 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.94E+15 -0.5 26210.03864. C5H11-2+HO2<=>C5H11O-2+OH 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.14E+17 -1.1 28220.03865. C5H11-3+HO2<=>C5H11O-3+OH 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.02E+17 -1.1 28210.03866. C5H11-1+CH3O2<=>C5H11O-1+CH3O 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.22E+14 -0.2 30450.03867. C5H11-2+CH3O2<=>C5H11O-2+CH3O 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.97E+16 -0.8 32460.03868. C5H11-3+CH3O2<=>C5H11O-3+CH3O 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.89E+16 -0.8 32450.03869. C5H11O2-1+NC5H12<=>C5H11O2H-1+C5H11-1 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03870. C5H11O2-2+NC5H12<=>C5H11O2H-2+C5H11-1 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03871. C5H11O2-3+NC5H12<=>C5H11O2H-3+C5H11-1 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03872. C5H11O2-1+NC5H12<=>C5H11O2H-1+C5H11-2 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03873. C5H11O2-2+NC5H12<=>C5H11O2H-2+C5H11-2 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03874. C5H11O2-3+NC5H12<=>C5H11O2H-3+C5H11-2 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03875. C5H11O2-1+NC5H12<=>C5H11O2H-1+C5H11-3 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03876. C5H11O2-2+NC5H12<=>C5H11O2H-2+C5H11-3 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03877. C5H11O2-3+NC5H12<=>C5H11O2H-3+C5H11-3 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.03878. C5H11-1+C5H11O2-1<=>C5H11O-1+C5H11O-1 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.94E+13 -0.1 29910.03879. C5H11-1+C5H11O2-2<=>C5H11O-1+C5H11O-2 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.28E+13 -0.1 29600.03880. C5H11-1+C5H11O2-3<=>C5H11O-1+C5H11O-3 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.05E+14 -0.1 29600.03881. C5H11-2+C5H11O2-1<=>C5H11O-2+C5H11O-1 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.60E+15 -0.8 31920.03882. C5H11-2+C5H11O2-2<=>C5H11O-2+C5H11O-2 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.54E+15 -0.8 31620.03883. C5H11-2+C5H11O2-3<=>C5H11O-2+C5H11O-3 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.70E+16 -0.8 31620.03884. C5H11-3+C5H11O2-1<=>C5H11O-3+C5H11O-1 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.22E+15 -0.8 31920.03885. C5H11-3+C5H11O2-2<=>C5H11O-3+C5H11O-2 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 8.21E+15 -0.8 31610.03886. C5H11-3+C5H11O2-3<=>C5H11O-3+C5H11O-3 9.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.64E+16 -0.8 31610.03887. C5H11O2-1+C5H11O2-2<=>O2+C5H11O-1+C5H11O-2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3888. C5H11O2-1+C5H11O2-3<=>O2+C5H11O-1+C5H11O-3 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3889. C5H11O2-1+CH3O2<=>O2+C5H11O-1+CH3O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3890. C5H11O2-1+C5H11O2-1<=>O2+C5H11O-1+C5H11O-1 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3891. H2O2+C5H11O2-1<=>HO2+C5H11O2H-1 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03892. C5H11O2-1+HO2<=>C5H11O2H-1+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.75E+13 -0.8 33620.03893. C5H11O2-2+CH3O2<=>O2+C5H11O-2+CH3O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3894. C5H11O2-2+C5H11O2-3<=>C5H11O-2+C5H11O-3+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3895. C5H11O2-2+C5H11O2-2<=>O2+C5H11O-2+C5H11O-2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3896. H2O2+C5H11O2-2<=>HO2+C5H11O2H-2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03897. C5H11O2-2+HO2<=>C5H11O2H-2+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.38E+13 -0.8 33640.03898. C5H11O2-3+CH3O2<=>O2+C5H11O-3+CH3O 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3899. C5H11O2-3+C5H11O2-3<=>O2+C5H11O-3+C5H11O-3 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3900. H2O2+C5H11O2-3<=>HO2+C5H11O2H-3 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.03901. C5H11O2-3+HO2<=>C5H11O2H-3+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.38E+13 -0.8 33640.03902. C5H11O2H-1<=>C5H11O-1+OH 1.50E+16 0.0 42500.0 Reverse Arrhenius coefficients: 2.93E+07 1.9 -3022.03903. C5H11O2H-2<=>C5H11O-2+OH 9.45E+15 0.0 41600.0 Reverse Arrhenius coefficients: 1.40E+07 2.0 -4252.03904. C5H11O2H-3<=>C5H11O-3+OH 9.45E+15 0.0 41600.0 Reverse Arrhenius coefficients: 2.80E+07 2.0 -4252.03905. C5H11O-1<=>CH2O+PC4H9 5.66E+20 -2.2 24960.0 Reverse Arrhenius coefficients: 6.25E+10 0.0 11900.03906. C5H11O-2<=>CH3CHO+NC3H7 1.69E+22 -2.6 19550.0 Reverse Arrhenius coefficients: 7.50E+10 0.0 11900.03907. C5H11O-3<=>C2H5+C2H5CHO 1.24E+18 -1.2 18590.0 Reverse Arrhenius coefficients: 8.50E+10 0.0 11900.03908. C5H11O2-1<=>C5H11-1+O2 2.34E+20 -1.6 35830.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03909. C5H11O2-2<=>C5H11-2+O2 7.09E+22 -2.3 38150.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03910. C5H11O2-3<=>C5H11-3+O2 3.41E+22 -2.3 38150.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03911. C5H11O2-1<=>C5H10OOH1-2 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.08E+10 -0.1 13850.03912. C5H11O2-1<=>C5H10OOH1-3 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 2.60E+09 -0.1 7850.03913. C5H11O2-1<=>C5H10OOH1-4 3.12E+09 0.0 19050.0 Reverse Arrhenius coefficients: 3.26E+08 -0.1 6050.03914. C5H11O2-1<=>C5H10OOH1-5 5.86E+08 0.0 25550.0 Reverse Arrhenius coefficients: 1.38E+09 -0.5 10090.03915. C5H11O2-2<=>C5H10OOH2-1 3.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 7.79E+11 -0.5 13960.03916. C5H11O2-2<=>C5H10OOH2-3 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.70E+10 -0.1 13900.03917. C5H11O2-2<=>C5H10OOH2-4 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 3.37E+09 -0.1 7900.03918. C5H11O2-2<=>C5H10OOH2-5 4.69E+09 0.0 22350.0 Reverse Arrhenius coefficients: 1.22E+10 -0.5 6910.03919. C5H11O2-3<=>C5H10OOH3-1 7.50E+10 0.0 24400.0 Reverse Arrhenius coefficients: 1.95E+11 -0.5 8960.03920. C5H11O2-3<=>C5H10OOH3-2 4.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 5.40E+10 -0.1 13900.03921. C5H11O2-1<=>C5H10-1+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 1.52E+31 -6.7 20510.03922. C5H11O2-2<=>C5H10-1+HO2 5.07E+42 -9.4 41490.0 Reverse Arrhenius coefficients: 2.04E+34 -7.7 16750.03923. C5H11O2-2<=>C5H10-2+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 7.05E+28 -5.8 18600.03924. C5H11O2-3<=>C5H10-2+HO2 1.01E+39 -8.1 40490.0 Reverse Arrhenius coefficients: 1.41E+29 -5.8 18600.03925. C5H10OOH1-2<=>C5H10O1-2+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3926. C5H10OOH1-3<=>C5H10O1-3+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3927. C5H10OOH1-4<=>C5H10O1-4+OH 9.38E+09 0.0 6000.0

SUPPLEMENTAL MATERIAL REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3928. C5H10OOH1-5<=>C5H10O1-5+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3929. C5H10OOH2-1<=>C5H10O1-2+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3930. C5H10OOH2-3<=>C5H10O2-3+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3931. C5H10OOH2-4<=>C5H10O2-4+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3932. C5H10OOH2-5<=>C5H10O1-4+OH 9.38E+09 0.0 6000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3933. C5H10OOH3-2<=>C5H10O2-3+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3934. C5H10OOH3-1<=>C5H10O1-3+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3935. C5H10O1-2+OH<=>CH2CO+NC3H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3936. C5H10O1-3+OH<=>C2H4+C2H5CO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3937. C5H10O1-4+OH<=>CH3COCH2+C2H4+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3938. C5H10O1-5+OH<=>CH2CH2CHO+C2H4+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3939. C5H10O2-3+OH<=>CH3CHCO+C2H5+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3940. C5H10O2-4+OH<=>CH3CO+C3H6+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3941. C5H10O1-2+OH<=>C2H3CHO+C2H5+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3942. C5H10O1-3+OH<=>HCO+C4H8-1+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3943. C5H10O1-4+OH<=>CH2CHO+C3H6+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3944. C5H10O1-5+OH<=>CH2O+C4H71-3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3945. C5H10O2-3+OH<=>C2H3COCH3+CH3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3946. C5H10O2-4+OH<=>CH3CHO+C3H5-S+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3947. C5H10O1-2+HO2<=>CH2CO+NC3H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3948. C5H10O1-3+HO2<=>C2H4+C2H5CO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3949. C5H10O1-4+HO2<=>CH3COCH2+C2H4+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3950. C5H10O1-5+HO2<=>CH2CH2CHO+C2H4+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3951. C5H10O2-3+HO2<=>CH3CHCO+C2H5+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3952. C5H10O2-4+HO2<=>CH3CO+C3H6+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3953. C5H10O1-2+HO2<=>C2H3CHO+C2H5+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3954. C5H10O1-3+HO2<=>HCO+C4H8-1+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3955. C5H10O1-4+HO2<=>CH2CHO+C3H6+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3956. C5H10O1-5+HO2<=>CH2O+C4H71-3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3957. C5H10O2-3+HO2<=>C2H3COCH3+CH3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3958. C5H10O2-4+HO2<=>CH3CHO+C3H5-S+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3959. C5H10OOH1-2<=>C5H10-1+HO2 3.45E+17 -1.6 17980.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11000.03960. C5H10OOH2-1<=>C5H10-1+HO2 6.46E+19 -2.2 21050.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11750.03961. C5H10OOH2-3<=>C5H10-2+HO2 9.65E+19 -2.5 20680.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11750.03962. C5H10OOH3-2<=>C5H10-2+HO2 9.65E+19 -2.5 20680.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11750.03963. C5H10OOH1-3<=>OH+CH2O+C4H8-1 8.28E+13 -0.2 30090.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3964. C5H10OOH2-4<=>OH+CH3CHO+C3H6 8.31E+17 -1.4 27170.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3965. C5H10OOH3-1<=>OH+C2H5CHO+C2H4 3.10E+18 -1.7 26820.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3966. C5H10OOH1-2O2<=>C5H10OOH1-2+O2 8.04E+22 -2.3 37970.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03967. C5H10OOH1-3O2<=>C5H10OOH1-3+O2 8.04E+22 -2.3 37970.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03968. C5H10OOH1-4O2<=>C5H10OOH1-4+O2 8.04E+22 -2.3 37970.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03969. C5H10OOH1-5O2<=>C5H10OOH1-5+O2 2.78E+20 -1.6 35690.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03970. C5H10OOH2-1O2<=>C5H10OOH2-1+O2 2.57E+20 -1.6 35650.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03971. C5H10OOH2-3O2<=>C5H10OOH2-3+O2 7.25E+22 -2.3 37910.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03972. C5H10OOH2-4O2<=>C5H10OOH2-4+O2 7.25E+22 -2.3 37910.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03973. C5H10OOH2-5O2<=>C5H10OOH2-5+O2 2.57E+20 -1.6 35650.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03974. C5H10OOH3-1O2<=>C5H10OOH3-1+O2 2.57E+20 -1.6 35650.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.03975. C5H10OOH3-2O2<=>C5H10OOH3-2+O2 7.25E+22 -2.3 37910.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.03976. C5H10OOH1-2O2<=>NC5KET12+OH 2.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 2.78E+04 1.4 48950.03977. C5H10OOH1-3O2<=>NC5KET13+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 1.11E+03 1.5 44740.03978. C5H10OOH1-4O2<=>NC5KET14+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 1.39E+02 1.5 42690.03979. C5H10OOH1-5O2<=>NC5KET15+OH 3.91E+08 0.0 22550.0 Reverse Arrhenius coefficients: 2.01E+01 1.5 45880.03980. C5H10OOH2-1O2<=>NC5KET21+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 2.78E+02 1.9 50050.03981. C5H10OOH2-3O2<=>NC5KET23+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 1.35E+03 1.8 49120.03982. C5H10OOH2-4O2<=>NC5KET24+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 5.62E+01 1.9 43910.03983. C5H10OOH2-5O2<=>NC5KET25+OH 1.56E+09 0.0 16050.0 Reverse Arrhenius coefficients: 9.72E+00 1.9 42120.03984. C5H10OOH3-1O2<=>NC5KET31+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 6.55E+01 1.9 44220.03985. C5H10OOH3-2O2<=>NC5KET32+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 9.88E+02 1.8 49390.03986. NC5KET12<=>NC3H7CHO+HCO+OH 1.05E+16 0.0 41600.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3987. NC5KET13<=>C2H5CHO+CH2CHO+OH 1.05E+16 0.0 41600.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3988. NC5KET14<=>CH3CHO+CH2CH2CHO+OH 1.05E+16 0.0 41600.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3989. NC5KET15<=>CH2O+C3H6CHO-1+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3990. NC5KET21<=>CH2O+NC3H7CO+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3991. NC5KET23<=>C2H5CHO+CH3CO+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3992. NC5KET24<=>CH3CHO+CH3COCH2+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3993. NC5KET25<=>CH2O+CH2CH2COCH3+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3994. NC5KET31<=>CH2O+C2H5COCH2+OH 1.50E+16 0.0 42000.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3995. NC5KET32<=>CH3CHO+C2H5CO+OH 1.05E+16 0.0 41600.0 REV parameters are zero... 0.000E+00 0.000 0.000E+00 this reaction will be treated as irreversible3996. NC6H14<=>C5H11-1+CH3 1.61E+22 -1.6 89350.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.03997. NC6H14<=>NC3H7+NC3H7 2.17E+24 -2.2 87840.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.03998. NC6H14<=>PC4H9+C2H5 1.62E+24 -2.2 88580.0 Reverse Arrhenius coefficients: 4.00E+12 0.0 -596.03999. NC6H14<=>C6H13-1+H 1.36E+17 -0.4 101200.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.04000. NC6H14<=>C6H13-2+H 2.09E+18 -0.7 98710.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.04001. NC6H14<=>C6H13-3+H 2.09E+18 -0.7 98710.0 Reverse Arrhenius coefficients: 3.61E+13 0.0 0.04002. NC6H14+H<=>C6H13-1+H2 1.88E+05 2.8 6280.0 Reverse Arrhenius coefficients: 2.00E+01 3.4 8615.04003. NC6H14+H<=>C6H13-2+H2 2.60E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.79E+01 3.4 9318.04004. NC6H14+H<=>C6H13-3+H2 2.60E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.79E+01 3.4 9318.04005. NC6H14+O<=>C6H13-1+OH 2.09E+06 2.4 4766.0 Reverse Arrhenius coefficients: 1.17E+02 3.0 5689.04006. NC6H14+O<=>C6H13-2+OH 1.19E+06 2.4 2846.0 Reverse Arrhenius coefficients: 4.31E+00 3.4 6281.04007. NC6H14+O<=>C6H13-3+OH 1.19E+06 2.4 2846.0 Reverse Arrhenius coefficients: 4.31E+00 3.4 6281.04008. NC6H14+OH<=>C6H13-1+H2O 2.57E+07 1.8 954.0 Reverse Arrhenius coefficients: 2.91E+04 2.3 18180.04009. NC6H14+OH<=>C6H13-2+H2O 4.90E+06 2.0 -596.0 Reverse Arrhenius coefficients: 3.60E+02 2.9 19140.04010. NC6H14+OH<=>C6H13-3+H2O 4.90E+06 2.0 -596.0 Reverse Arrhenius coefficients: 3.60E+02 2.9 19140.04011. NC6H14+CH3<=>C6H13-1+CH4 9.04E-01 3.6 7154.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 8.77E-02 3.8 11030.04012. NC6H14+CH3<=>C6H13-3+CH4 1.68E+05 2.1 7574.0 Reverse Arrhenius coefficients: 1.06E+03 2.7 13960.04013. NC6H14+CH3<=>C6H13-2+CH4 1.68E+05 2.1 7574.0 Reverse Arrhenius coefficients: 1.06E+03 2.7 13960.04014. NC6H14+HO2<=>C6H13-1+H2O2 8.10E+04 2.5 16690.0 Reverse Arrhenius coefficients: 4.98E+03 2.4 3025.04015. NC6H14+HO2<=>C6H13-2+H2O2 1.18E+05 2.5 14860.0 Reverse Arrhenius coefficients: 4.70E+02 2.8 3709.04016. NC6H14+HO2<=>C6H13-3+H2O2 1.18E+05 2.5 14860.0 Reverse Arrhenius coefficients: 4.70E+02 2.8 3709.04017. NC6H14+CH3O<=>C6H13-1+CH3OH 3.16E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.04018. NC6H14+CH3O<=>C6H13-2+CH3OH 2.19E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.91E+09 0.0 7200.04019. NC6H14+CH3O<=>C6H13-3+CH3OH 2.19E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.91E+09 0.0 7200.04020. NC6H14+O2<=>C6H13-1+HO2 4.20E+13 0.0 52800.0 Reverse Arrhenius coefficients: 2.34E+10 0.3 451.04021. NC6H14+O2<=>C6H13-2+HO2 2.80E+13 0.0 50160.0 Reverse Arrhenius coefficients: 1.01E+09 0.6 313.04022. NC6H14+O2<=>C6H13-3+HO2 2.80E+13 0.0 50160.0 Reverse Arrhenius coefficients: 1.01E+09 0.6 313.04023. NC6H14+C2H5<=>C6H13-1+C2H6 1.00E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.24E+11 0.0 12300.04024. NC6H14+C2H5<=>C6H13-2+C2H6 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.04025. NC6H14+C2H5<=>C6H13-3+C2H6 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.04026. NC6H14+C2H3<=>C6H13-1+C2H4 1.00E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.57E+12 0.0 25400.04027. NC6H14+C2H3<=>C6H13-2+C2H4 8.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.04028. NC6H14+C2H3<=>C6H13-3+C2H4 8.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.04029. NC6H14+CH3O2<=>C6H13-1+CH3O2H 8.10E+04 2.5 16690.0 Reverse Arrhenius coefficients: 9.70E+04 2.0 1430.04030. NC6H14+CH3O2<=>C6H13-2+CH3O2H 1.18E+05 2.5 14860.0 Reverse Arrhenius coefficients: 9.14E+03 2.3 2114.04031. NC6H14+CH3O2<=>C6H13-3+CH3O2H 1.18E+05 2.5 14860.0 Reverse Arrhenius coefficients: 9.14E+03 2.3 2114.04032. NC6H14+O2CHO<=>C6H13-1+HO2CHO 1.68E+13 0.0 20440.0 Reverse Arrhenius coefficients: 5.69E+02 2.3 3060.04033. NC6H14+O2CHO<=>C6H13-2+HO2CHO 1.12E+13 0.0 17690.0 Reverse Arrhenius coefficients: 2.46E+01 2.6 2823.04034. NC6H14+O2CHO<=>C6H13-3+HO2CHO 1.12E+13 0.0 17690.0 Reverse Arrhenius coefficients: 2.46E+01 2.6 2823.04035. C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-1 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04036. C6H13O2-2+NC6H14<=>C6H13O2H-2+C6H13-1 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04037. C6H13O2-3+NC6H14<=>C6H13O2H-3+C6H13-1 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04038. C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-2 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04039. C6H13O2-2+NC6H14<=>C6H13O2H-2+C6H13-2 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04040. C6H13O2-3+NC6H14<=>C6H13O2H-3+C6H13-2 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04041. C6H13O2-1+NC6H14<=>C6H13O2H-1+C6H13-3 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04042. C6H13O2-2+NC6H14<=>C6H13O2H-2+C6H13-3 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04043. C6H13O2-3+NC6H14<=>C6H13O2H-3+C6H13-3 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04044. NC6H14+C6H13-1<=>NC6H14+C6H13-2 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.04045. NC6H14+C6H13-1<=>NC6H14+C6H13-3 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.04046. NC6H14+C6H13-2<=>NC6H14+C6H13-3 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10400.04047. C6H13-1+HO2<=>C6H13O-1+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.27E+15 -0.6 26150.04048. C6H13-2+HO2<=>C6H13O-2+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.07E+17 -1.1 28070.04049. C6H13-3+HO2<=>C6H13O-3+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.07E+17 -1.1 28070.04050. C6H13-1+CH3O2<=>C6H13O-1+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.04E+14 -0.3 30390.04051. C6H13-2+CH3O2<=>C6H13O-2+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.92E+16 -0.8 32310.04052. C6H13-3+CH3O2<=>C6H13O-3+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.92E+16 -0.8 32310.04053. C6H13-1+O2<=>C6H12-1+HO2 3.00E-19 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.04054. C6H13-2+O2<=>C6H12-1+HO2 4.50E-19 0.0 5020.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.04055. C6H13-2+O2<=>C6H12-2+HO2 3.00E-19 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.04056. C6H13-3+O2<=>C6H12-2+HO2 3.00E-19 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.04057. C6H13-3+O2<=>C6H12-3+HO2 3.00E-19 0.0 3000.0 Reverse Arrhenius coefficients: 2.00E-19 0.0 17500.04058. C6H13-1<=>C2H4+PC4H9 6.39E+19 -2.0 30640.0 Reverse Arrhenius coefficients: 3.30E+11 0.0 7200.04059. C6H13-1<=>C6H12-1+H 9.62E+13 -0.3 36000.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.04060. C6H13-2<=>C3H6+NC3H7 1.83E+19 -1.8 30170.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 7200.04061. C6H13-2<=>C6H12-1+H 6.25E+12 0.1 36820.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 1200.04062. C6H13-2<=>C6H12-2+H 1.27E+13 -0.1 35650.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.04063. C6H13-3<=>C4H8-1+C2H5 1.20E+19 -1.8 30450.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 7200.04064. C6H13-3<=>C5H10-1+CH3 1.67E+16 -0.9 31480.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 7200.04065. C6H13-3<=>C6H12-2+H 1.27E+13 -0.1 35650.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.04066. C6H13-3<=>C6H12-3+H 4.66E+12 0.0 35740.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.04067. C6H13-1<=>C6H13-2 5.48E+08 1.6 38760.0 Reverse Arrhenius coefficients: 3.56E+07 2.0 41270.04068. C6H13-1<=>C6H13-3 1.50E+09 1.0 33760.0 Reverse Arrhenius coefficients: 9.71E+07 1.3 36270.04069. O2+C6H12-1=>CH2O+NC4H9CHO 1.00E+14 0.0 37000.04070. C6H12-1<=>C3H6+C3H6 4.00E+12 0.0 58000.04071. C6H12-1<=>NC3H7+C3H5-A 1.00E+16 0.0 71000.04072. C6H12-2<=>C2H5+C4H71-3 1.00E+16 0.0 71000.04073. C6H12-3<=>CH3+C5H91-3 3.00E+16 0.0 72000.04074. C6H111-3+H<=>C6H12-1 1.00E+14 0.0 0.04075. C5H91-5+CH3<=>C6H12-1 1.00E+13 0.0 0.04076. PC4H9+C2H3<=>C6H12-1 1.00E+13 0.0 0.04077. C4H71-4+C2H5<=>C6H12-1 8.00E+12 0.0 0.04078. C6H111-3+H<=>C6H12-2 1.00E+14 0.0 0.04079. C6H112-4+H<=>C6H12-2 1.00E+14 0.0 0.04080. C5H92-5+CH3<=>C6H12-2 1.00E+13 0.0 0.04081. NC3H7+C3H5-T<=>C6H12-2 1.00E+13 0.0 0.04082. C6H112-4+H<=>C6H12-3 1.00E+14 0.0 0.04083. C4H71-1+C2H5<=>C6H12-3 1.00E+13 0.0 0.04084. C6H12-1+OH=>PC4H9+CH3CHO 1.00E+11 0.0 -2000.04085. C6H12-2+OH=>CH3+NC4H9CHO 5.00E+10 0.0 -2000.04086. C6H12-2+OH=>C2H5CHO+NC3H7 5.00E+10 0.0 -2000.04087. C6H12-3+OH=>PC4H9+CH3CHO 1.00E+11 0.0 -4000.04088. C5H10-1+OH<=>NC3H7+CH3CHO 1.00E+11 0.0 -2000.04089. C5H10-2+OH<=>CH3+NC3H7CHO 1.00E+11 0.0 -2000.04090. C6H12-1+O<=>C5H11-1+HCO 1.00E+11 0.0 -1050.04091. C6H12-2+O<=>PC4H9+CH3CO 1.00E+11 0.0 -1050.04092. C6H12-1+H<=>C6H111-3+H2 3.38E+05 2.4 207.04093. C6H12-1+H<=>C6H111-4+H2 1.30E+06 2.4 4471.04094. C6H12-1+H<=>C6H111-5+H2 1.30E+06 2.4 4471.04095. C6H12-1+H<=>C6H111-6+H2 6.65E+05 2.5 6756.04096. C6H12-1+OH<=>C6H111-3+H2O 2.76E+04 2.6 -1919.04097. C6H12-1+OH<=>C6H111-4+H2O 4.67E+07 1.6 -35.04098. C6H12-1+OH<=>C6H111-5+H2O 4.67E+07 1.6 -35.04099. C6H12-1+OH<=>C6H111-6+H2O 5.27E+09 1.0 1586.04100. C6H12-1+CH3<=>C6H111-3+CH4 3.69E+00 3.3 4002.04101. C6H12-1+CH3<=>C6H111-4+CH4 1.51E+00 3.5 5481.04102. C6H12-1+CH3<=>C6H111-5+CH4 1.51E+00 3.5 5481.04103. C6H12-1+CH3<=>C6H111-6+CH4 4.52E-01 3.6 7154.04104. C6H12-1+HO2<=>C6H111-3+H2O2 9.64E+03 2.5 10530.04105. C6H12-1+HO2<=>C6H111-4+H2O2 1.26E+02 3.4 13720.04106. C6H12-1+HO2<=>C6H111-5+H2O2 1.26E+02 3.4 13720.04107. C6H12-1+HO2<=>C6H111-6+H2O2 4.08E+01 3.6 17160.04108. C6H12-1+CH3O2<=>C6H111-3+CH3O2H 4.82E+03 2.5 10530.04109. C6H12-1+CH3O2<=>C6H111-4+CH3O2H 2.04E+01 3.6 14810.04110. C6H12-1+CH3O2<=>C6H111-5+CH3O2H 2.04E+01 3.6 14810.04111. C6H12-1+CH3O2<=>C6H111-6+CH3O2H 1.39E+00 4.0 18280.04112. C6H12-1+CH3O<=>C6H111-3+CH3OH 4.00E+01 2.9 8609.04113. C6H12-1+CH3O<=>C6H111-4+CH3OH 1.45E+11 0.0 4571.04114. C6H12-1+CH3O<=>C6H111-5+CH3OH 1.45E+11 0.0 4571.04115. C6H12-1+CH3O<=>C6H111-6+CH3OH 2.17E+11 0.0 6458.04116. C6H12-2+H<=>C6H111-3+H2 1.73E+05 2.5 2492.04117. C6H12-2+H<=>C6H112-4+H2 3.38E+05 2.4 207.04118. C6H12-2+H<=>C6H112-5+H2 1.30E+06 2.4 4471.04119. C6H12-2+H<=>C6H112-6+H2 6.65E+05 2.5 6756.04120. C6H12-2+OH<=>C6H111-3+H2O 3.12E+06 2.0 -1298.04121. C6H12-2+OH<=>C6H112-4+H2O 2.76E+04 2.6 -1919.04122. C6H12-2+OH<=>C6H112-5+H2O 4.67E+07 1.6 -35.04123. C6H12-2+OH<=>C6H112-6+H2O 5.27E+09 1.0 1586.04124. C6H12-2+CH3<=>C6H111-3+CH4 2.21E+00 3.5 5675.04125. C6H12-2+CH3<=>C6H112-4+CH4 3.69E+00 3.3 4002.04126. C6H12-2+CH3<=>C6H112-5+CH4 1.51E+00 3.5 5481.04127. C6H12-2+CH3<=>C6H112-6+CH4 4.52E-01 3.6 7154.04128. C6H12-2+HO2<=>C6H111-3+H2O2 2.70E+04 2.5 12340.04129. C6H12-2+HO2<=>C6H112-4+H2O2 9.64E+03 2.5 10530.04130. C6H12-2+HO2<=>C6H112-5+H2O2 1.26E+02 3.4 13720.04131. C6H12-2+HO2<=>C6H112-6+H2O2 4.08E+01 3.6 17160.04132. C6H12-2+CH3O2<=>C6H111-3+CH3O2H 9.64E+03 2.6 13910.04133. C6H12-2+CH3O2<=>C6H112-4+CH3O2H 4.82E+03 2.5 10530.04134. C6H12-2+CH3O2<=>C6H112-5+CH3O2H 2.04E+01 3.6 14810.04135. C6H12-2+CH3O2<=>C6H112-6+CH3O2H 1.39E+00 4.0 18280.04136. C6H12-2+CH3O<=>C6H111-3+CH3OH 9.00E+01 3.0 11990.04137. C6H12-2+CH3O<=>C6H112-4+CH3OH 4.00E+01 2.9 8609.04138. C6H12-2+CH3O<=>C6H112-5+CH3OH 1.45E+11 0.0 4571.04139. C6H12-2+CH3O<=>C6H112-6+CH3OH 2.17E+11 0.0 6458.04140. C6H12-3+H<=>C6H113-1+H2 1.33E+06 2.5 6756.04141. C6H12-3+H<=>C6H112-4+H2 6.75E+05 2.4 207.04142. C6H12-3+OH<=>C6H113-1+H2O 1.05E+10 1.0 1586.04143. C6H12-3+OH<=>C6H112-4+H2O 5.53E+04 2.6 -1919.04144. C6H12-3+CH3<=>C6H113-1+CH4 9.04E-01 3.6 7154.04145. C6H12-3+CH3<=>C6H112-4+CH4 7.38E+00 3.3 4002.04146. C6H12-3+HO2<=>C6H113-1+H2O2 9.52E+04 2.5 16490.04147. C6H12-3+HO2<=>C6H112-4+H2O2 1.93E+04 2.5 10530.04148. C6H12-3+CH3O2<=>C6H113-1+CH3O2H 2.77E+00 4.0 18280.04149. C6H12-3+CH3O2<=>C6H112-4+CH3O2H 9.64E+03 2.5 10530.04150. C6H12-3+CH3O<=>C6H113-1+CH3OH 4.34E+11 0.0 6458.04151. C6H12-3+CH3O<=>C6H112-4+CH3OH 8.00E+01 2.9 8609.04152. C6H111-3+HO2<=>C6H11O1-3+OH 9.64E+12 0.0 0.04153. C6H111-3+CH3O2<=>C6H11O1-3+CH3O 9.64E+12 0.0 0.04154. C6H111-3+C2H5O2<=>C6H11O1-3+C2H5O 9.64E+12 0.0 0.04155. C6H111-6<=>C6H111-3 1.11E+12 0.0 31700.04156. C6H112-4+HO2<=>C6H11O2-4+OH 9.64E+12 0.0 0.04157. C6H112-4+CH3O2<=>C6H11O2-4+CH3O 9.64E+12 0.0 0.04158. C6H112-4+C2H5O2<=>C6H11O2-4+C2H5O 9.64E+12 0.0 0.04159. C6H12-1+O2<=>C6H111-3+HO2 2.20E+12 0.0 37220.04160. C6H12-1+O2<=>C6H111-4+HO2 2.80E+13 0.0 50150.04161. C6H12-1+O2<=>C6H111-5+HO2 2.80E+13 0.0 50150.04162. C6H12-1+O2<=>C6H111-6+HO2 4.20E+13 0.0 52800.04163. C6H12-1+O<=>C6H111-3+OH 6.60E+05 2.4 1210.04164. C6H12-1+O<=>C6H111-4+OH 5.51E+05 2.5 2830.04165. C6H12-1+O<=>C6H111-5+OH 5.51E+05 2.5 2830.04166. C6H12-1+O<=>C6H111-6+OH 9.80E+05 2.4 4750.0

SUPPLEMENTAL MATERIAL4167. C6H12-2+O2<=>C6H111-3+HO2 5.50E+12 0.0 39900.04168. C6H12-2+O2<=>C6H112-4+HO2 2.20E+12 0.0 37220.04169. C6H12-2+O2<=>C6H112-5+HO2 2.80E+13 0.0 50150.04170. C6H12-2+O2<=>C6H112-6+HO2 4.20E+13 0.0 52800.04171. C6H12-2+O<=>C6H111-3+OH 4.41E+05 2.4 3150.04172. C6H12-2+O<=>C6H112-4+OH 6.60E+05 2.4 1210.04173. C6H12-2+O<=>C6H112-5+OH 5.51E+05 2.5 2830.04174. C6H12-2+O<=>C6H112-6+OH 9.80E+05 2.4 4750.04175. C6H12-3+O2<=>C6H112-4+HO2 4.40E+12 0.0 37220.04176. C6H12-3+O2<=>C6H113-1+HO2 4.20E+13 0.0 52800.04177. C6H12-3+O<=>C6H112-4+OH 1.32E+06 2.4 1210.04178. C6H12-3+O<=>C6H113-1+OH 1.96E+06 2.4 4750.04179. C2H5+C4H6=C6H111-3 8.50E+10 0.0 8300.04180. CH3+C5H81-4=C6H111-4 1.00E+11 0.0 7800.04181. C3H5-A+C3H6=C6H111-5 4.00E+11 0.0 16900.04182. C4H71-4+C2H4=C6H111-6 8.50E+10 0.0 8300.04183. CH3+C5H81-3=C6H112-4 1.00E+11 0.0 7800.04184. C3H5-T+C3H6=C6H112-5 6.30E+11 0.0 3100.04185. C4H71-3+C2H4=C6H112-6 4.00E+11 0.0 16900.04186. C4H71-1+C2H4=C6H113-1 6.30E+11 0.0 3100.04187. C6H111-6<=>C6H111-4 3.80E+10 0.7 36000.04188. C6H111-6<=>C6H111-5 3.56E+10 0.9 37300.04189. C6H112-6<=>C6H112-4 3.80E+10 0.7 28400.04190. C6H112-6<=>C6H112-5 3.56E+10 0.9 37300.04191. C6H113-1<=>C6H112-4 3.56E+10 0.9 29600.04192. C6H111-3+O2=C6H112O2-1 2.00E+12 0.0 0.04193. C6H111-3+O2=C6H111O2-3 2.00E+12 0.0 0.04194. C6H111-4+O2=C6H111O2-4 7.54E+12 0.0 0.04195. C6H111-5+O2=C6H111O2-5 7.54E+12 0.0 0.04196. C6H111-6+O2=C6H111O2-6 4.52E+12 0.0 0.04197. C6H112-4+O2=C6H113O2-2 2.00E+12 0.0 0.04198. C6H112-4+O2=C6H112O2-4 2.00E+12 0.0 0.04199. C6H112-5+O2=C6H112O2-5 7.54E+12 0.0 0.04200. C6H112-6+O2=C6H112O2-6 4.52E+12 0.0 0.04201. C6H113-1+O2=C6H113O2-1 4.52E+12 0.0 0.04202. C6H111O2-3=>C6H101-3+HO2 1.00E+39 -8.1 40500.04203. C6H111O2-4=>C6H101-3+HO2 5.04E+38 -8.1 38500.04204. C6H111O2-5=>C6H101-4+HO2 1.00E+39 -8.1 40500.04205. C6H111O2-6=>C6H101-5+HO2 1.00E+39 -8.1 40500.04206. C6H111O2-5=>C6H101-5+HO2 1.01E+43 -9.4 41500.04207. C6H112O2-4=>C6H102-4+HO2 1.00E+39 -8.1 40500.04208. C6H112O2-5=>C6H102-4+HO2 5.04E+38 -8.1 37500.04209. C6H112O2-6=>C6H101-4+HO2 1.00E+39 -8.1 40500.04210. C6H113O2-2=>C6H101-3+HO2 1.01E+43 -9.4 41500.04211. C6H113O2-1=>C6H101-3+HO2 5.04E+38 -8.1 37500.04212. C6H111O2-3=C6H101OOH3-4 2.00E+11 0.0 26450.04213. C6H111O2-3=C6H101OOH3-5 2.50E+10 0.0 20450.04214. C6H111O2-3=C6H101OOH3-6 9.38E+09 0.0 21950.04215. C6H111O2-4=C6H101OOH4-3 2.00E+11 0.0 24450.04216. C6H111O2-4=C6H101OOH4-5 2.00E+11 0.0 26450.04217. C6H111O2-4=C6H101OOH4-6 3.75E+10 0.0 24000.04218. C6H111O2-5=C6H101OOH5-3 2.50E+10 0.0 18450.04219. C6H111O2-5=C6H101OOH5-4 2.00E+11 0.0 26450.04220. C6H111O2-5=C6H101OOH5-6 3.00E+11 0.0 29000.04221. C6H111O2-6=C6H101OOH6-3 3.12E+09 0.0 16650.04222. C6H111O2-6=C6H101OOH6-4 2.50E+10 0.0 20450.04223. C6H111O2-6=C6H101OOH6-5 2.00E+11 0.0 26450.04224. C6H112O2-4=C6H102OOH4-5 2.00E+11 0.0 26450.04225. C6H112O2-4=C6H102OOH4-6 3.75E+10 0.0 24000.04226. C6H112O2-5=C6H102OOH5-4 2.00E+11 0.0 24450.04227. C6H112O2-5=C6H102OOH5-6 3.00E+11 0.0 29000.04228. C6H112O2-6=C6H102OOH6-4 2.50E+10 0.0 18450.04229. C6H112O2-6=C6H102OOH6-5 2.00E+11 0.0 26450.04230. C6H113O2-1=C6H103OOH1-2 2.00E+11 0.0 24450.04231. C6H113O2-2=C6H103OOH2-1 3.00E+11 0.0 29000.04232. C6H101OOH3-4=>ETES1+OH 6.00E+11 0.0 22000.04233. C6H101OOH3-5=>MVOX+OH 7.50E+10 0.0 15250.04234. C6H101OOH3-4=>VTHF+OH 9.38E+09 0.0 7000.04235. C6H101OOH4-3=>EDHF+OH 9.38E+09 0.0 7000.04236. C6H101OOH4-3=>ETES1+OH 6.00E+11 0.0 22000.04237. C6H101OOH4-5=>ETES1+OH 6.00E+11 0.0 22000.04238. C6H101OOH4-6=>ETES1+OH 7.50E+10 0.0 15250.04239. C6H101OOH5-3=>MVOX+OH 7.50E+10 0.0 15250.04240. C6H101OOH5-4=>ETES1+OH 6.00E+11 0.0 22000.04241. C6H101OOH5-6=>ETES1+OH 6.00E+11 0.0 22000.04242. C6H101OOH6-3=>VTHF+OH 9.38E+09 0.0 7000.04243. C6H101OOH6-4=>ETES1+OH 7.50E+10 0.0 15250.04244. C6H101OOH6-5=>ETES1+OH 6.00E+11 0.0 22000.04245. C6H102OOH4-5=>ETES1+OH 6.00E+11 0.0 22000.04246. C6H102OOH4-6=>ETES1+OH 7.50E+10 0.0 15250.04247. C6H102OOH5-4=>ETES1+OH 6.00E+11 0.0 22000.04248. C6H102OOH5-6=>ETES1+OH 6.00E+11 0.0 22000.04249. C6H102OOH6-4=>ETES1+OH 7.50E+10 0.0 15250.04250. C6H102OOH6-5=>ETES1+OH 6.00E+11 0.0 22000.04251. C6H103OOH2-1=>ETES1+OH 6.00E+11 0.0 22000.04252. C6H103OOH1-2=>ETES1+OH 6.00E+11 0.0 22000.04253. HO2+C6H101-3<=>C6H101OOH3-4 4.85E+11 0.0 10000.04254. HO2+C6H101-3<=>C6H101OOH4-3 4.85E+11 0.0 9000.04255. HO2+C6H101-4<=>C6H101OOH4-5 3.40E+11 0.0 11800.04256. HO2+C6H101-4<=>C6H101OOH5-4 3.40E+11 0.0 11800.04257. HO2+C6H101-5<=>C6H101OOH5-6 1.00E+12 0.0 13700.04258. HO2+C6H101-5<=>C6H101OOH6-5 1.00E+12 0.0 13700.04259. HO2+C6H102-4<=>C6H102OOH4-5 3.80E+11 0.0 8800.04260. HO2+C6H102-4<=>C6H102OOH5-4 3.80E+11 0.0 7800.04261. HO2+C6H101-4<=>C6H102OOH5-6 1.00E+12 0.0 13700.04262. HO2+C6H101-4<=>C6H102OOH6-5 1.00E+12 0.0 13700.04263. HO2+C6H101-3<=>C6H103OOH2-1 4.85E+11 0.0 10000.04264. HO2+C6H101-3<=>C6H103OOH1-2 4.85E+11 0.0 9000.04265. C6H12OOH1-2<=>C6H12-1+HO2 1.02E+19 -2.0 19720.04266. C6H12OOH2-1<=>C6H12-1+HO2 3.70E+21 -2.7 22030.04267. C6H12OOH2-3<=>C6H12-2+HO2 3.66E+20 -2.5 21640.04268. C6H12OOH3-2<=>C6H12-2+HO2 3.66E+20 -2.5 21640.04269. C6H12OOH3-4<=>C6H12-3+HO2 2.68E+20 -2.4 21730.04270. C6H101OOH3-4=>CH3+AC3H5OOH+C2H2 3.00E+13 0.0 33500.04271. C6H101OOH3-5=>OH+C3H6+C2H3CHO 3.00E+13 0.0 23000.04272. C6H101OOH3-6=>HO2+C4H6+C2H4 3.00E+13 0.0 30000.04273. C6H101OOH4-3=>C2H5+CH3O2H+C3H2 1.00E+13 0.0 35000.04274. C6H101OOH4-5=>C3H5-A+AC3H5OOH 3.00E+13 0.0 23000.04275. C6H101OOH4-6=>OH+C2H3COCH3+C2H4 3.00E+13 0.0 30000.04276. C6H101OOH5-3=>OH+C4H6+CH3CHO 1.00E+13 0.0 35000.04277. C6H101OOH5-4=>CH3+CH3O2H+2C2H2 3.00E+13 0.0 33500.04278. C6H101OOH5-6=>C4H71-4+C2H3OOH 3.00E+13 0.0 30000.04279. C6H101OOH6-3=>HO2+C4H6+C2H4 1.00E+13 0.0 35000.04280. C6H101OOH6-4=>OH+C5H81-4+CH2O 3.00E+13 0.0 29500.04281. C6H101OOH6-5=>C3H5-A+AC3H5OOH 3.00E+13 0.0 23000.04282. C6H102OOH4-6=>OH+C2H3COCH3+C2H4 3.00E+13 0.0 22000.04283. C6H102OOH5-6=>C4H71-3+CH2CHO+OH 3.00E+13 0.0 22000.04284. C6H102OOH6-4=>OH+C5H81-3+CH2O 1.00E+13 0.0 35000.04285. C6H102OOH6-5=>C3H5-T+AC3H5OOH 3.00E+13 0.0 39000.04286. C6H103OOH2-1=>C4H71-4+CH2CHO+OH 3.00E+13 0.0 39000.04287. C6H101OOH3-4+O2=C6H101OOH3-4O2 7.54E+12 0.0 0.04288. C6H101OOH3-5+O2=C6H101OOH3-5O2 7.54E+12 0.0 0.04289. C6H101OOH3-6+O2=C6H101OOH3-6O2 4.52E+12 0.0 0.04290. C6H101OOH4-3+O2=C6H101OOH4-3O2 2.00E+12 0.0 0.04291. C6H101OOH4-5+O2=C6H101OOH4-5O2 7.54E+12 0.0 0.04292. C6H101OOH4-6+O2=C6H101OOH4-6O2 4.52E+12 0.0 0.04293. C6H101OOH5-3+O2=C6H101OOH5-3O2 2.00E+12 0.0 0.04294. C6H101OOH5-4+O2=C6H101OOH5-4O2 7.54E+12 0.0 0.04295. C6H101OOH5-6+O2=C6H101OOH5-6O2 4.52E+12 0.0 0.04296. C6H101OOH6-3+O2=C6H101OOH6-3O2 2.00E+12 0.0 0.04297. C6H101OOH6-4+O2=C6H101OOH6-4O2 7.54E+12 0.0 0.04298. C6H101OOH6-5+O2=C6H101OOH6-5O2 7.54E+12 0.0 0.04299. C6H102OOH4-5+O2=C6H102OOH4-5O2 7.54E+12 0.0 0.04300. C6H102OOH4-6+O2=C6H102OOH4-6O2 4.52E+12 0.0 0.04301. C6H102OOH5-4+O2=C6H102OOH5-4O2 1.00E+12 0.0 0.04302. C6H102OOH5-6+O2=C6H102OOH5-6O2 4.52E+12 0.0 0.04303. C6H102OOH6-4+O2=C6H102OOH6-4O2 1.00E+12 0.0 0.04304. C6H102OOH6-5+O2=C6H102OOH6-5O2 7.54E+12 0.0 0.04305. C6H103OOH2-1+O2=C6H103OOH2-1O2 4.52E+12 0.0 0.04306. C6H103OOH1-2+O2=C6H103OOH1-2O2 1.00E+12 0.0 0.04307. C6H101OOH3-4O2=>NC6D1KET34+OH 1.00E+11 0.0 21450.04308. C6H101OOH3-5O2=>NC6D1KET35+OH 1.25E+10 0.0 15450.04309. C6H101OOH3-6O2=>NC6D1KET36+OH 1.56E+09 0.0 13650.04310. C6H101OOH4-3O2=>NC6D1KET43+OH 1.00E+11 0.0 23450.04311. C6H101OOH4-5O2=>NC6D1KET45+OH 1.00E+11 0.0 23450.04312. C6H101OOH4-6O2=>NC6D1KET46+OH 1.25E+10 0.0 17450.04313. C6H101OOH5-3O2=>NC6D1KET53+OH 1.25E+10 0.0 17450.04314. C6H101OOH5-4O2=>NC6D1KET54+OH 1.00E+11 0.0 23450.04315. C6H101OOH5-6O2=>NC6D1KET56+OH 1.00E+11 0.0 23450.04316. C6H101OOH6-3O2=>NC6D1KET63+OH 3.12E+09 0.0 22150.04317. C6H101OOH6-4O2=>NC6D1KET64+OH 2.50E+10 0.0 21000.04318. C6H101OOH6-5O2=>NC6D1KET65+OH 2.00E+11 0.0 26150.04319. C6H102OOH4-5O2=>NC6D2KET45+OH 1.00E+11 0.0 21450.04320. C6H102OOH4-6O2=>NC6D2KET46+OH 1.25E+10 0.0 15450.04321. C6H102OOH5-4O2=>NC6D2KET54+OH 1.00E+11 0.0 23450.04322. C6H102OOH5-6O2=>NC6D2KET56+OH 1.00E+11 0.0 23450.04323. C6H102OOH6-4O2=>NC6D2KET64+OH 2.50E+10 0.0 21000.04324. C6H102OOH6-5O2=>NC6D2KET65+OH 2.00E+11 0.0 26000.04325. C6H103OOH2-1O2=>NC6D3KET21+OH 1.00E+11 0.0 21450.04326. C6H103OOH1-2O2=>NC6D3KET12+OH 2.00E+11 0.0 26000.04327. NC6D1KET34=>OH+C2H3+CO+C2H5CHO 1.00E+16 0.0 39000.04328. NC6D1KET35=>OH+CH2CHO+C2H3COCH3 5.00E+15 0.0 39000.04329. NC6D1KET35=>OH+CH3+CO+C2H3COCH3 5.00E+15 0.0 39000.04330. NC6D1KET36=>OH+C2H3+CO+CH2O+C2H4 1.00E+16 0.0 39000.04331. NC6D1KET43=>OH+C3H5O+C2H3CHO 1.00E+16 0.0 39000.04332. NC6D1KET45=>OH+C2H3+CH3CHO+CH2CO 1.00E+16 0.0 39000.04333. NC6D1KET46=>OH+C3H5-A+CO+CH3CHO 1.00E+16 0.0 39000.04334. NC6D1KET53=>OH+C2H5CO+C2H3CHO 1.00E+16 0.0 39000.04335. NC6D1KET54=>OH+C3H5-A+CO+CH3CHO 1.00E+16 0.0 39000.04336. NC6D1KET56=>OH+C3H5-A+CH2CO+CH2O 1.00E+16 0.0 39000.04337. NC6D1KET63=>OH+C2H3CHO+HCO+C2H4 1.00E+16 0.0 39000.04338. NC6D1KET64=>OH+C3H5-A+CH3CHO+CO 5.00E+15 0.0 39000.04339. NC6D1KET64=>OH+CH2CHO+AC3H5CHO 5.00E+15 0.0 39000.04340. NC6D1KET65=>OH+HCO+CH2CO+C3H6 1.00E+16 0.0 39000.04341. NC6D2KET45=>OH+C3H5-T+CO+CH3CHO 1.00E+16 0.0 39000.04342. NC6D2KET46=>OH+C3H5-T+CH2CO+CH2O 1.00E+16 0.0 39000.04343. NC6D2KET54=>OH+CH2CHO+C2H3COCH3 1.00E+16 0.0 39000.04344. NC6D2KET56=>OH+C3H5-T+CH2O+CH2CO 1.00E+16 0.0 39000.04345. NC6D2KET64=>OH+CH2CHO+C2H3COCH3 1.00E+16 0.0 39000.04346. NC6D2KET65=>OH+C4H71-3+CO+CH2O 1.00E+16 0.0 39000.04347. NC6D3KET21=>OH+C4H71-4+CO+CH2O 1.00E+16 0.0 39000.04348. NC6D3KET12=>OH+HCO+C4H7CHO1-4 1.00E+16 0.0 39000.04349. C6H12OH-1=>CH3CHO+PC4H9 1.50E+13 0.0 30000.04350. C6H12OH-1=>C2H5CHO+NC3H7 1.50E+13 0.0 30000.04351. C6H12OH-2=>NC3H7CHO+C2H5 1.50E+13 0.0 30000.04352. C6H12OH-2=>NC4H9CHO+CH3 1.50E+13 0.0 30000.04353. C6H12OH-3=>NC3H7CHO+C2H5 1.50E+13 0.0 30000.04354. C6H12-3+O<=>NC3H7+C2H5CO 1.00E+11 0.0 -1050.04355. C6H111-4+HO2=C6H111O2H-4 9.00E+12 0.0 0.04356. C6H111-5+HO2=C6H111O2H-5 9.00E+12 0.0 0.04357. C6H111-6+HO2=C6H111O2H-6 9.00E+12 0.0 0.04358. C6H112-5+HO2=C6H112O2H-5 9.00E+12 0.0 0.04359. C6H112-6+HO2=C6H112O2H-6 9.00E+12 0.0 0.04360. C6H112-4+HO2=C6H113O2H-2 9.00E+12 0.0 0.04361. C6H112-4+HO2=C6H112O2H-4 9.00E+12 0.0 0.04362. C6H113-1+HO2=C6H113O2H-1 9.00E+12 0.0 0.04363. C6H112O2-1=>C2H3COC3H7+OH 4.00E+12 0.0 38000.04364. C6H111O2-3=>C2H3COC3H7+OH 4.00E+12 0.0 38000.04365. C6H101OOH3-6=>C2H3COC3H7+OH 1.00E+11 0.0 16700.04366. C6H111O2H-4=>OH+C2H5CHO+C3H5-A 1.00E+16 0.0 39000.04367. C6H111O2H-5=>OH+CH3CHO+C4H71-4 1.00E+16 0.0 39000.04368. C6H111O2H-6=>OH+CH2O+C5H91-5 1.00E+16 0.0 39000.04369. C6H112O2H-4=>OH+C2H3COCH3+C2H5 1.00E+16 0.0 39000.04370. C6H112O2H-5=>OH+CH3CHO+C4H71-3 1.00E+16 0.0 39000.04371. C6H112O2H-6=>OH+CH2O+C5H91-5 1.00E+16 0.0 39000.04372. C6H113O2H-2=>OH+CH3CHO+C4H71-4 1.00E+16 0.0 39000.04373. C6H113O2H-1=>OH+CH2O+C5H91-3 1.00E+16 0.0 39000.04374. O2+ETES1=>HO2+C2H3COCH3+C2H3 2.04E+07 2.0 40722.54375. H+ETES1=>H2+C2H3COCH3+C2H3 2.57E+07 2.0 3950.64376. OH+ETES1=>H2O+C2H3COCH3+C2H3 4.79E+06 2.0 -2259.84377. O+ETES1=>OH+C2H3COCH3+C2H3 1.62E+07 2.0 2579.54378. HO2+ETES1=>H2O2+C2H3COCH3+C2H3 6.46E+05 2.0 11887.74379. HCO+ETES1=>CH2O+C2H3COCH3+C2H3 1.52E+06 2.0 12360.4

SUPPLEMENTAL MATERIAL4380. CH3+ETES1=>CH4+C2H3COCH3+C2H3 4.68E+05 2.0 4871.34381. C2H5+ETES1=>C2H6+C2H3COCH3+C2H3 2.76E+05 2.0 7658.14382. CH3O+ETES1=>CH3OH+C2H3COCH3+C2H3 5.14E+05 2.0 1583.64383. CH3O2+ETES1=>CH3O2H+C2H3COCH3+C2H3 9.13E+05 2.0 12360.44384. O2+MVOX=>HO2+C2H3COCH3+C2H3 2.04E+07 2.0 40722.54385. H+MVOX=>H2+C2H3COCH3+C2H3 2.57E+07 2.0 3950.64386. OH+MVOX=>H2O+C2H3COCH3+C2H3 4.79E+06 2.0 -2259.84387. O+MVOX=>OH+C2H3COCH3+C2H3 1.62E+07 2.0 2579.54388. HO2+MVOX=>H2O2+C2H3COCH3+C2H3 6.46E+05 2.0 11887.74389. HCO+MVOX=>CH2O+C2H3COCH3+C2H3 1.52E+06 2.0 12360.44390. CH3+MVOX=>CH4+C2H3COCH3+C2H3 4.68E+05 2.0 4871.34391. C2H5+MVOX=>C2H6+C2H3COCH3+C2H3 2.76E+05 2.0 7658.14392. CH3O2+MVOX=>CH3O2H+C2H3COCH3+C2H3 9.13E+05 2.0 12360.44393. C2H3+MVOX=>C2H4+C2H3COCH3+C2H3 8.14E+05 2.0 4871.34394. CH3O+MVOX=>CH3OH+C2H3COCH3+C2H3 5.14E+05 2.0 1583.64395. O2+VTHF=>HO2+C2H3COCH3+C2H3 2.04E+07 2.0 40722.54396. H+VTHF=>H2+C2H3COCH3+C2H3 2.57E+07 2.0 3950.64397. OH+VTHF=>H2O+C2H3COCH3+C2H3 4.79E+06 2.0 -2259.84398. O+VTHF=>OH+C2H3COCH3+C2H3 1.62E+07 2.0 2579.54399. HO2+VTHF=>H2O2+C2H3COCH3+C2H3 6.46E+05 2.0 11887.74400. HCO+VTHF=>CH2O+C2H3COCH3+C2H3 1.52E+06 2.0 12360.44401. CH3+VTHF=>CH4+C2H3COCH3+C2H3 4.68E+05 2.0 4871.34402. C2H5+VTHF=>C2H6+C2H3COCH3+C2H3 2.76E+05 2.0 7658.14403. CH3O+VTHF=>CH3OH+C2H3COCH3+C2H3 5.14E+05 2.0 1583.64404. CH3O2+VTHF=>CH3O2H+C2H3COCH3+C2H3 9.13E+05 2.0 12360.44405. C2H3+VTHF=>C2H4+C2H3COCH3+C2H3 8.14E+05 2.0 4871.34406. O2+EDHF=>HO2+C2H3COCH3+C2H3 2.04E+07 2.0 40722.54407. H+EDHF=>H2+C2H3COCH3+C2H3 2.57E+07 2.0 3950.64408. OH+EDHF=>H2O+C2H3COCH3+C2H3 4.79E+06 2.0 -2259.84409. O+EDHF=>OH+C2H3COCH3+C2H3 1.62E+07 2.0 2579.54410. HO2+EDHF=>H2O2+C2H3COCH3+C2H3 6.46E+05 2.0 11887.74411. HCO+EDHF=>CH2O+C2H3COCH3+C2H3 1.52E+06 2.0 12360.44412. CH3+EDHF=>CH4+C2H3COCH3+C2H3 4.68E+05 2.0 4871.34413. C2H5+EDHF=>C2H6+C2H3COCH3+C2H3 2.76E+05 2.0 7658.14414. C2H3+EDHF=>C2H4+C2H3COCH3+C2H3 8.14E+05 2.0 4871.34415. CH3O2+EDHF=>CH3O2H+C2H3COCH3+C2H3 9.13E+05 2.0 12360.44416. CH3O+EDHF=>CH3OH+C2H3COCH3+C2H3 5.14E+05 2.0 1583.64417. O2+C5H81-4=>HO2+C3H5-A+C2H2 5.11E+06 2.0 40722.54418. H+C5H81-4=>H2+C3H5-A+C2H2 6.44E+06 2.0 3950.64419. OH+C5H81-4=>H2O+C3H5-A+C2H2 1.20E+06 2.0 -2259.84420. O+C5H81-4=>OH+C3H5-A+C2H2 4.06E+06 2.0 2579.54421. HO2+C5H81-4=>H2O2+C3H5-A+C2H2 1.62E+05 2.0 11887.74422. HCO+C5H81-4=>CH2O+C3H5-A+C2H2 3.79E+05 2.0 12360.44423. CH3+C5H81-4=>CH4+C3H5-A+C2H2 1.17E+05 2.0 4871.34424. C2H5+C5H81-4=>C2H6+C3H5-A+C2H2 6.90E+04 2.0 7658.14425. CH3O+C5H81-4=>CH3OH+C3H5-A+C2H2 1.28E+05 2.0 1583.64426. CH3O2+C5H81-4=>CH3O2H+C3H5-A+C2H2 2.28E+05 2.0 12360.44427. C2H3+C5H81-4=>C2H4+C3H5-A+C2H2 2.04E+05 2.0 4871.34428. C6H101-3+H<=>C6H111-3 2.50E+11 0.5 2620.04429. C6H101-3+H<=>C6H111-4 2.50E+11 0.5 2620.04430. C6H101-3+H<=>C6H113-1 4.25E+11 0.5 1230.04431. C6H101-3+H<=>C6H112-4 2.50E+11 0.5 2620.04432. C6H101-4+H<=>C6H111-4 2.50E+11 0.5 2620.04433. C6H101-4+H<=>C6H111-5 2.50E+11 0.5 2620.04434. C6H101-4+H<=>C6H112-5 4.25E+11 0.5 1230.04435. C6H101-4+H<=>C6H112-6 2.50E+11 0.5 2620.04436. C6H101-5+H<=>C6H111-5 4.25E+11 0.5 1230.04437. C6H101-5+H<=>C6H111-6 2.50E+11 0.5 2620.04438. C6H101-3+O=>C5H91-3+HCO 2.00E+11 0.0 -1050.04439. C6H101-4+O=>C5H92-5+HCO 2.00E+11 0.0 -1050.04440. C6H101-5+O=>C5H91-5+HCO 2.00E+11 0.0 -1050.04441. C6H101-3+OH=>C5H91-3+CH2O 1.00E+12 0.0 0.04442. C6H101-4+OH=>C5H92-5+CH2O 1.00E+12 0.0 0.04443. C6H101-5+OH=>C5H91-5+CH2O 1.00E+12 0.0 0.04444. C6H101-3+OH=>C2H3+C4H6+H2O 2.76E+04 2.6 -1919.04445. C6H101-4+OH=>C2H3+C4H6+H2O 2.76E+04 2.6 -1919.04446. C6H101-5+OH=>C2H3+C4H6+H2O 2.76E+04 2.6 -1919.04447. C6H101-3+HO2=>C2H3+C4H6+H2O2 4.82E+03 2.5 10530.04448. C6H101-4+HO2=>C2H3+C4H6+H2O2 4.82E+03 2.5 10530.04449. C6H101-5+HO2=>C2H3+C4H6+H2O2 4.82E+03 2.5 10530.04450. C6H101-3+H=>C2H3+C4H6+H2 3.38E+05 2.4 207.04451. C6H101-4+H=>C2H3+C4H6+H2 3.38E+05 2.4 207.04452. C6H101-5+H=>C2H3+C4H6+H2 3.38E+05 2.4 207.04453. C6H12-1+OH<=>C6H12OH-1 1.00E+13 0.0 0.04454. C6H12OH-1+O2<=>O2C6H12OH-1 6.00E+12 0.0 0.04455. O2C6H12OH-1<=>NC4H9CHO+CH2O+OH 1.00E+12 0.0 27800.04456. C6H12-2+OH<=>C6H12OH-2 1.00E+13 0.0 0.04457. C6H12OH-2+O2<=>O2C6H12OH-2 7.50E+12 0.0 0.04458. O2C6H12OH-2<=>NC3H7CHO+CH3CHO+OH 1.00E+12 0.0 27800.04459. C6H12-3+OH<=>C6H12OH-3 1.00E+13 0.0 0.04460. C6H12OH-3+O2<=>O2C6H12OH-3 7.50E+12 0.0 0.04461. O2C6H12OH-3<=>OH+C2H5CHO+C2H5CHO 2.00E+12 0.0 26800.04462. C6H111-3+C6H12-2=C6H12-2+C6H112-4 7.90E+10 0.0 12400.04463. C6H11O1-3<=>C2H3CHO+NC3H7 1.43E+20 -2.0 11230.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.04464. C6H11O1-3<=>NC3H7CHO+C2H3 2.40E+18 -1.6 23410.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.04465. C6H11O2-4<=>SC3H5CHO+C2H5 5.45E+19 -1.9 10760.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.04466. C6H11O2-4<=>C2H5CHO+C3H5-S 2.35E+22 -2.6 29310.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.04467. C6H13O2-1<=>C6H13-1+O2 5.15E+20 -1.7 35790.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.04468. C6H13O2-2<=>C6H13-2+O2 2.18E+23 -2.3 38040.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04469. C6H13O2-3<=>C6H13-3+O2 2.18E+23 -2.3 38040.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04470. C6H13-1+C6H13O2-1<=>C6H13O-1+C6H13O-1 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.78E+13 -0.2 29840.04471. C6H13-1+C6H13O2-2<=>C6H13O-1+C6H13O-2 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.63E+13 -0.2 29500.04472. C6H13-1+C6H13O2-3<=>C6H13O-1+C6H13O-3 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.63E+13 -0.2 29500.04473. C6H13-2+C6H13O2-1<=>C6H13O-2+C6H13O-1 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.20E+15 -0.8 31760.04474. C6H13-2+C6H13O2-2<=>C6H13O-2+C6H13O-2 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.41E+15 -0.8 31420.04475. C6H13-2+C6H13O2-3<=>C6H13O-2+C6H13O-3 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.41E+15 -0.8 31420.04476. C6H13-3+C6H13O2-1<=>C6H13O-3+C6H13O-1 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.20E+15 -0.8 31760.04477. C6H13-3+C6H13O2-2<=>C6H13O-3+C6H13O-2 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.41E+15 -0.8 31420.04478. C6H13-3+C6H13O2-3<=>C6H13O-3+C6H13O-3 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.41E+15 -0.8 31420.04479. C6H13O2-1<=>C6H12-1+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 9.64E+29 -6.2 20470.04480. C6H13O2-2<=>C6H12-1+HO2 5.07E+42 -9.4 41490.0 Reverse Arrhenius coefficients: 5.89E+32 -7.2 16700.04481. C6H13O2-2<=>C6H12-2+HO2 5.04E+38 -8.1 40490.0 Reverse Arrhenius coefficients: 2.88E+28 -5.8 18570.04482. C6H13O2-3<=>C6H12-3+HO2 1.01E+39 -8.1 40490.0 Reverse Arrhenius coefficients: 1.57E+29 -5.8 18480.04483. C6H13O2-1<=>C6H12OOH1-2 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.40E+10 -0.1 13860.04484. C6H13O2-1<=>C6H12OOH1-3 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 3.00E+09 -0.1 7860.04485. C6H13O2-1<=>C6H12OOH1-4 3.12E+09 0.0 19050.0 Reverse Arrhenius coefficients: 3.75E+08 -0.1 6060.04486. C6H13O2-1<=>C6H12OOH1-5 3.91E+08 0.0 22050.0 Reverse Arrhenius coefficients: 4.69E+07 -0.1 9060.04487. C6H13O2-2<=>C6H12OOH2-1 3.00E+11 0.0 29400.0 Reverse Arrhenius coefficients: 7.95E+11 -0.5 13950.04488. C6H13O2-2<=>C6H12OOH2-3 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.58E+10 -0.1 13880.04489. C6H13O2-2<=>C6H12OOH2-4 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 3.22E+09 -0.1 7880.04490. C6H13O2-2<=>C6H12OOH2-5 3.12E+09 0.0 19050.0 Reverse Arrhenius coefficients: 4.03E+08 -0.1 6080.04491. C6H13O2-2<=>C6H12OOH2-6 5.86E+08 0.0 25550.0 Reverse Arrhenius coefficients: 1.55E+09 -0.5 10100.04492. C6H13O2-3<=>C6H12OOH3-1 3.75E+10 0.0 24400.0 Reverse Arrhenius coefficients: 9.94E+10 -0.5 8950.04493. C6H13O2-3<=>C6H12OOH3-2 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.58E+10 -0.1 13880.04494. C6H13O2-3<=>C6H12OOH3-4 2.00E+11 0.0 26850.0 Reverse Arrhenius coefficients: 2.58E+10 -0.1 13880.04495. C6H13O2-3<=>C6H12OOH3-5 2.50E+10 0.0 20850.0 Reverse Arrhenius coefficients: 3.22E+09 -0.1 7880.04496. C6H13O2-3<=>C6H12OOH3-6 4.69E+09 0.0 22350.0 Reverse Arrhenius coefficients: 1.24E+10 -0.5 6900.04497. C6H13O2-1+HO2<=>C6H13O2H-1+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.54E+13 -0.8 33600.04498. C6H13O2-2+HO2<=>C6H13O2H-2+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.45E+13 -0.8 33640.04499. C6H13O2-3+HO2<=>C6H13O2H-3+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.45E+13 -0.8 33640.04500. C6H13O2-1+H2O2<=>C6H13O2H-1+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.04501. C6H13O2-2+H2O2<=>C6H13O2H-2+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.04502. C6H13O2-3+H2O2<=>C6H13O2H-3+HO2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.04503. C6H13O2-1+CH3O2<=>C6H13O-1+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4504. C6H13O2-2+CH3O2<=>C6H13O-2+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4505. C6H13O2-3+CH3O2<=>C6H13O-3+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4506. C6H13O2-1+C6H13O2-1<=>O2+C6H13O-1+C6H13O-1 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4507. C6H13O2-1+C6H13O2-2<=>O2+C6H13O-1+C6H13O-2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4508. C6H13O2-1+C6H13O2-3<=>O2+C6H13O-1+C6H13O-3 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4509. C6H13O2-2+C6H13O2-2<=>O2+C6H13O-2+C6H13O-2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4510. C6H13O2-2+C6H13O2-3<=>O2+C6H13O-2+C6H13O-3 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4511. C6H13O2-3+C6H13O2-3<=>O2+C6H13O-3+C6H13O-3 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4512. C6H13O2H-1<=>C6H13O-1+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 2.02E+07 1.9 -6512.04513. C6H13O2H-2<=>C6H13O-2+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 5.98E+06 2.0 -6892.04514. C6H13O2H-3<=>C6H13O-3+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 5.98E+06 2.0 -6892.04515. C6H13O-1<=>C5H11-1+CH2O 5.23E+20 -2.1 24830.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.04516. C6H13O-2<=>PC4H9+CH3CHO 2.36E+22 -2.6 19620.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.04517. C6H13O-3<=>C2H5CHO+NC3H7 8.04E+17 -1.2 18170.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.04518. C6H12OOH1-2<=>C6H12O1-2+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4519. C6H12OOH1-3<=>C6H12O1-3+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4520. C6H12OOH1-4<=>C6H12O1-4+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4521. C6H12OOH1-5<=>C6H12O1-5+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00

SUPPLEMENTAL MATERIAL this reaction will be treated as irreversible4522. C6H12OOH2-1<=>C6H12O1-2+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4523. C6H12OOH2-3<=>C6H12O2-3+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4524. C6H12OOH2-4<=>C6H12O2-4+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4525. C6H12OOH2-5<=>C6H12O2-5+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4526. C6H12OOH2-6<=>C6H12O1-5+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4527. C6H12OOH3-2<=>C6H12O2-3+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4528. C6H12OOH3-4<=>C6H12O3-4+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4529. C6H12OOH3-1<=>C6H12O1-3+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4530. C6H12OOH3-5<=>C6H12O2-4+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4531. C6H12OOH3-6<=>C6H12O1-4+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4532. C6H12OOH1-3<=>OH+CH2O+C5H10-1 7.70E+13 -0.2 30090.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4533. C6H12OOH2-4<=>OH+CH3CHO+C4H8-1 2.93E+18 -1.7 24080.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4534. C6H12OOH3-5<=>OH+C2H5CHO+C3H6 1.17E+17 -1.3 28880.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4535. C6H12OOH3-1<=>OH+CH3CHO+C2H4+C2H4 7.33E+18 -1.7 27420.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4536. C6H12OOH1-2O2<=>C6H12OOH1-2+O2 8.87E+22 -2.3 37980.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04537. C6H12OOH1-3O2<=>C6H12OOH1-3+O2 8.87E+22 -2.3 37980.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04538. C6H12OOH1-4O2<=>C6H12OOH1-4+O2 8.87E+22 -2.3 37980.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04539. C6H12OOH1-5O2<=>C6H12OOH1-5+O2 8.87E+22 -2.3 37980.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04540. C6H12OOH2-1O2<=>C6H12OOH2-1+O2 1.46E+20 -1.6 35670.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.04541. C6H12OOH2-3O2<=>C6H12OOH2-3+O2 4.79E+22 -2.3 37960.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04542. C6H12OOH2-4O2<=>C6H12OOH2-4+O2 4.79E+22 -2.3 37960.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04543. C6H12OOH2-5O2<=>C6H12OOH2-5+O2 4.79E+22 -2.3 37960.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04544. C6H12OOH2-6O2<=>C6H12OOH2-6+O2 1.46E+20 -1.6 35670.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.04545. C6H12OOH3-1O2<=>C6H12OOH3-1+O2 1.46E+20 -1.6 35670.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.04546. C6H12OOH3-2O2<=>C6H12OOH3-2+O2 4.79E+22 -2.3 37960.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04547. C6H12OOH3-4O2<=>C6H12OOH3-4+O2 4.79E+22 -2.3 37960.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04548. C6H12OOH3-5O2<=>C6H12OOH3-5+O2 4.79E+22 -2.3 37960.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04549. C6H12OOH3-6O2<=>C6H12OOH3-6+O2 1.46E+20 -1.6 35670.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.04550. C6H12OOH1-2O2<=>NC6KET12+OH 2.00E+11 0.0 26400.0 Reverse Arrhenius coefficients: 2.61E-12 6.1 39700.04551. C6H12OOH1-3O2<=>NC6KET13+OH 2.50E+10 0.0 21400.0 Reverse Arrhenius coefficients: 8.82E+02 1.6 44710.04552. C6H12OOH1-4O2<=>NC6KET14+OH 3.12E+09 0.0 19350.0 Reverse Arrhenius coefficients: 1.10E+02 1.6 42660.04553. C6H12OOH1-5O2<=>NC6KET15+OH 3.91E+08 0.0 22550.0 Reverse Arrhenius coefficients: 1.38E+01 1.6 45860.04554. C6H12OOH2-1O2<=>NC6KET21+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 2.25E+02 1.9 50030.04555. C6H12OOH2-3O2<=>NC6KET23+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 1.16E+03 1.8 49090.04556. C6H12OOH2-4O2<=>NC6KET24+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 4.62E+01 2.0 43880.04557. C6H12OOH2-5O2<=>NC6KET25+OH 1.56E+09 0.0 16050.0 Reverse Arrhenius coefficients: 5.77E+00 2.0 42080.04558. C6H12OOH2-6O2<=>NC6KET26+OH 3.91E+08 0.0 22550.0 Reverse Arrhenius coefficients: 1.94E+00 1.9 48590.04559. C6H12OOH3-1O2<=>NC6KET31+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 5.31E+01 1.9 44190.04560. C6H12OOH3-2O2<=>NC6KET32+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 7.38E+02 1.8 49350.04561. C6H12OOH3-4O2<=>NC6KET34+OH 1.00E+11 0.0 23850.0 Reverse Arrhenius coefficients: 7.38E+02 1.8 49350.04562. C6H12OOH3-5O2<=>NC6KET35+OH 1.25E+10 0.0 17850.0 Reverse Arrhenius coefficients: 3.50E+01 2.0 44160.04563. C6H12OOH3-6O2<=>NC6KET36+OH 1.56E+09 0.0 16050.0 Reverse Arrhenius coefficients: 6.64E+00 1.9 42390.04564. NC6KET12<=>NC4H9CHO+HCO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4565. NC6KET13<=>NC3H7CHO+CH2CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4566. NC6KET14<=>C2H5CHO+CH2CH2CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4567. NC6KET15<=>CH3CHO+C3H6CHO-1+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4568. NC6KET21<=>CH2O+NC4H9CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4569. NC6KET23<=>NC3H7CHO+CH3CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4570. NC6KET24<=>C2H5CHO+CH3COCH2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4571. NC6KET25<=>CH3CHO+CH2CH2COCH3+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4572. NC6KET26<=>CH2O+C3H6COCH3-1+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4573. NC6KET31<=>CH2O+NC3H7COCH2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4574. NC6KET32<=>CH3CHO+NC3H7CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4575. NC6KET34<=>C2H5CHO+C2H5CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4576. NC6KET35<=>CH3CHO+C2H5COCH2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4577. NC6KET36<=>CH2O+C2H5COC2H4P+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4578. C6H12O1-2+OH<=>C2H3CHO+NC3H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4579. C6H12O1-3+OH<=>C5H10-1+HCO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4580. C6H12O1-4+OH<=>C4H8-1+CH2CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4581. C6H12O1-5+OH<=>C3H6+CH2CH2CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4582. C6H12O2-3+OH<=>C2H3COCH3+C2H5+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4583. C6H12O2-4+OH<=>C4H8-1+CH3CO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4584. C6H12O2-5+OH<=>C3H6+CH3COCH2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4585. C6H12O3-4+OH<=>C2H5COC2H3+CH3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4586. C6H12O1-2+OH<=>CH2CO+PC4H9+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4587. C6H12O1-3+OH<=>C2H4+NC3H7CO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4588. C6H12O1-4+OH<=>C2H4+C2H5COCH2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4589. C6H12O1-5+OH<=>C2H4+CH2CH2COCH3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4590. C6H12O2-3+OH<=>CH3CHCO+NC3H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4591. C6H12O2-4+OH<=>C3H6+C2H5CO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4592. C6H12O2-5+OH<=>CH3CHO+C4H71-3+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4593. C6H12O3-4+OH<=>C2H5CHO+C3H5-S+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4594. C6H12O1-2+HO2<=>C2H3CHO+NC3H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4595. C6H12O1-3+HO2<=>C5H10-1+HCO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4596. C6H12O1-4+HO2<=>C4H8-1+CH2CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4597. C6H12O1-5+HO2<=>C3H6+CH2CH2CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4598. C6H12O2-3+HO2<=>C2H3COCH3+C2H5+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4599. C6H12O2-4+HO2<=>C4H8-1+CH3CO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4600. C6H12O2-5+HO2<=>C3H6+CH3COCH2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4601. C6H12O3-4+HO2<=>C2H5COC2H3+CH3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible

SUPPLEMENTAL MATERIAL4602. C6H12O1-2+HO2<=>CH2CO+PC4H9+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4603. C6H12O1-3+HO2<=>C2H4+NC3H7CO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4604. C6H12O1-4+HO2<=>C2H4+C2H5COCH2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4605. C6H12O1-5+HO2<=>C2H4+CH2CH2COCH3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4606. C6H12O2-3+HO2<=>CH3CHCO+NC3H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4607. C6H12O2-4+HO2<=>C3H6+C2H5CO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4608. C6H12O2-5+HO2<=>CH3CHO+C4H71-3+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4609. C6H12O3-4+HO2<=>C2H5CHO+C3H5-S+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4610. NC4H9CHO+O2<=>NC4H9CO+HO2 2.00E+13 0.5 42200.0 Reverse Arrhenius coefficients: 1.00E+07 0.0 40000.04611. NC4H9CHO+OH<=>NC4H9CO+H2O 2.69E+10 0.8 -340.0 Reverse Arrhenius coefficients: 2.14E+10 0.7 31240.04612. NC4H9CHO+H<=>NC4H9CO+H2 4.00E+13 0.0 4200.0 Reverse Arrhenius coefficients: 1.80E+13 0.0 24000.04613. NC4H9CHO+O<=>NC4H9CO+OH 5.00E+12 0.0 1790.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 19000.04614. NC4H9CHO+HO2<=>NC4H9CO+H2O2 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.04615. NC4H9CHO+CH3<=>NC4H9CO+CH4 1.70E+12 0.0 8440.0 Reverse Arrhenius coefficients: 1.50E+13 0.0 28000.04616. NC4H9CHO+CH3O<=>NC4H9CO+CH3OH 1.15E+11 0.0 1280.0 Reverse Arrhenius coefficients: 3.00E+11 0.0 18000.04617. NC4H9CHO+CH3O2<=>NC4H9CO+CH3O2H 1.00E+12 0.0 9500.0 Reverse Arrhenius coefficients: 2.50E+10 0.0 10000.04618. NC4H9CHO+OH<=>C4H8CHO-1+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.23E+09 0.9 21040.04619. NC4H9CHO+OH<=>C4H8CHO-2+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 6.84E+05 1.9 21920.04620. NC4H9CHO+OH<=>C4H8CHO-3+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 6.84E+05 1.9 21920.04621. NC4H9CHO+OH<=>C4H8CHO-4+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 1.20E+09 1.3 28870.04622. NC4H9CO<=>PC4H9+CO 1.00E+11 0.0 9600.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 0.04623. C4H8CHO-1<=>C2H4+CH2CH2CHO 5.98E+18 -1.6 30430.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 7800.04624. C4H8CHO-2<=>C3H6+CH2CHO 2.98E+14 -0.8 23320.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.04625. C4H8CHO-3<=>C4H8-1+HCO 4.80E+14 -0.7 24350.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.04626. C4H8CHO-3<=>AC3H5CHO+CH3 3.64E+13 -0.4 30330.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.04627. C4H8CHO-4<=>C2H3CHO+C2H5 1.86E+18 -1.3 30830.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.04628. AC3H5CHO<=>C3H5-A+HCO 1.81E+19 -1.1 68480.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.04629. AC3H5CHO+OH<=>AC3H5CO+H2O 2.69E+10 0.8 -340.0 Reverse Arrhenius coefficients: 1.74E+10 0.8 31200.04630. AC3H5CHO+OH<=>C2H3CHCHO+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 1.25E+08 1.8 34930.04631. AC3H5CHO+HO2<=>AC3H5CO+H2O2 3.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.15E+13 -0.3 11990.04632. AC3H5CHO+HO2<=>C2H3CHCHO+H2O2 9.63E+03 2.6 13910.0 Reverse Arrhenius coefficients: 2.28E+06 2.1 17670.04633. AC3H5CHO+CH3O2<=>AC3H5CO+CH3O2H 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 1.58E+13 -0.5 11270.04634. AC3H5CHO+CH3O2<=>C2H3CHCHO+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 1.94E+15 -0.7 20090.04635. AC3H5CO<=>C3H5-A+CO 6.20E+15 -1.1 -330.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.04636. C2H3CHCHO+HO2=>C2H3CHO+HCO+OH 8.91E+12 0.0 0.04637. NC3H7COCH3+OH<=>C3H6COCH3-1+H2O 2.06E+07 1.7 753.0 Reverse Arrhenius coefficients: 3.60E+06 1.8 20170.04638. NC3H7COCH3+OH<=>C3H6COCH3-2+H2O 3.62E+07 1.6 -247.0 Reverse Arrhenius coefficients: 3.67E+05 2.0 21660.04639. NC3H7COCH3+OH<=>C3H6COCH3-3+H2O 8.45E+11 0.0 -228.0 Reverse Arrhenius coefficients: 2.37E+13 -0.3 28700.04640. NC3H7COCH3+OH<=>NC3H7COCH2+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 9.29E+13 -0.7 27730.04641. NC3H7COCH3+HO2<=>C3H6COCH3-1+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.46E+04 2.2 4442.04642. NC3H7COCH3+HO2<=>C3H6COCH3-2+H2O2 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 3.37E+11 0.1 8142.04643. NC3H7COCH3+HO2<=>C3H6COCH3-3+H2O2 2.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 3.33E+13 -0.6 6160.04644. NC3H7COCH3+HO2<=>NC3H7COCH2+H2O2 2.38E+04 2.5 14690.0 Reverse Arrhenius coefficients: 2.57E+07 1.5 9762.04645. NC3H7COCH3+CH3O2<=>C3H6COCH3-1+CH3O2H 3.01E+12 0.0 19380.0 Reverse Arrhenius coefficients: 1.28E+13 -0.5 6607.04646. NC3H7COCH3+CH3O2<=>C3H6COCH3-2+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 4.93E+11 -0.1 6774.04647. NC3H7COCH3+CH3O2<=>C3H6COCH3-3+CH3O2H 2.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 1.37E+15 -0.8 11990.04648. NC3H7COCH3+CH3O2<=>NC3H7COCH2+CH3O2H 3.01E+12 0.0 17580.0 Reverse Arrhenius coefficients: 1.34E+16 -1.2 11930.04649. C3H6COCH3-1<=>C2H4+CH3COCH2 2.90E+16 -1.2 27000.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8600.04650. C3H6COCH3-2<=>C3H6+CH3CO 2.72E+16 -1.1 25590.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.04651. C3H6COCH3-3<=>C2H3COCH3+CH3 9.62E+15 -0.8 32390.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.04652. NC3H7COCH2<=>NC3H7+CH2CO 1.23E+18 -1.4 43450.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11600.04653. C2H5COC2H5+OH<=>C2H5COC2H4P+H2O 1.05E+10 1.0 1586.0 Reverse Arrhenius coefficients: 1.19E+09 0.9 21030.04654. C2H5COC2H5+OH<=>C2H5COC2H4S+H2O 1.69E+12 0.0 -228.0 Reverse Arrhenius coefficients: 3.30E+13 -0.3 28740.04655. C2H5COC2H5+HO2<=>C2H5COC2H4P+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 3.20E+04 2.2 4472.04656. C2H5COC2H5+HO2<=>C2H5COC2H4S+H2O2 4.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 4.63E+13 -0.7 6200.04657. C2H5COC2H5+O2<=>C2H5COC2H4P+HO2 4.10E+13 0.0 51310.0 Reverse Arrhenius coefficients: 1.95E+10 0.3 -1882.04658. C2H5COC2H5+O2<=>C2H5COC2H4S+HO2 3.10E+13 0.0 41970.0 Reverse Arrhenius coefficients: 2.54E+12 0.0 -1702.04659. C2H5COC2H5+H<=>C2H5COC2H4P+H2 1.83E+07 2.0 7700.0 Reverse Arrhenius coefficients: 4.79E+05 2.0 11990.04660. C2H5COC2H5+H<=>C2H5COC2H4S+H2 8.96E+06 2.0 3200.0 Reverse Arrhenius coefficients: 4.04E+07 1.7 17010.04661. C2H5COC2H5+C2H3<=>C2H5COC2H4P+C2H4 1.00E+12 0.0 10400.0 Reverse Arrhenius coefficients: 3.85E+08 0.8 14040.04662. C2H5COC2H5+C2H3<=>C2H5COC2H4S+C2H4 6.00E+11 0.0 5600.0 Reverse Arrhenius coefficients: 3.98E+10 0.5 18760.04663. C2H5COC2H5+C2H5<=>C2H5COC2H4P+C2H6 1.00E+11 0.0 13400.0 Reverse Arrhenius coefficients: 1.07E+13 -0.6 14000.04664. C2H5COC2H5+C2H5<=>C2H5COC2H4S+C2H6 6.00E+10 0.0 8600.0 Reverse Arrhenius coefficients: 1.10E+15 -0.9 18720.04665. C2H5COC2H5+CH3O<=>C2H5COC2H4P+CH3OH 4.34E+11 0.0 6460.0 Reverse Arrhenius coefficients: 5.48E+09 0.0 9020.04666. C2H5COC2H5+CH3O<=>C2H5COC2H4S+CH3OH 2.90E+11 0.0 2771.0 Reverse Arrhenius coefficients: 6.30E+11 -0.3 14850.04667. C2H5COC2H5+CH3O2<=>C2H5COC2H4P+CH3O2H 6.02E+12 0.0 19380.0 Reverse Arrhenius coefficients: 1.66E+13 -0.5 6642.04668. C2H5COC2H5+CH3O2<=>C2H5COC2H4S+CH3O2H 4.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 1.90E+15 -0.8 12030.04669. C2H5COC2H4P<=>C2H5CO+C2H4 1.77E+17 -1.5 29540.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 11300.04670. C2H5COC2H4S<=>C2H5COC2H3+H 8.70E+16 -0.8 42130.0 Reverse Arrhenius coefficients: 1.30E+13 0.0 1560.04671. C2H5COC2H3+OH<=>C2H5COCH2+CH2O 1.00E+10 0.0 0.0 Reverse Arrhenius coefficients: 1.67E+11 -0.4 18220.04672. C2H5COC2H3+OH<=>PC2H4COC2H3+H2O 7.55E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.28E+08 2.5 20210.04673. C2H5COC2H3+OH<=>SC2H4COC2H3+H2O 8.45E+11 0.0 -228.0 Reverse Arrhenius coefficients: 1.35E+13 -0.2 28600.04674. C2H5COC2H3+HO2<=>C2H5CO+CH2CHO+OH 6.03E+09 0.0 7949.0 Reverse Arrhenius coefficients: 1.00E+00 0.0 0.04675. C2H5COC2H3+HO2<=>PC2H4COC2H3+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.40E+03 3.8 3652.04676. C2H5COC2H3+HO2<=>SC2H4COC2H3+H2O2 2.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 1.90E+13 -0.5 6065.04677. C2H5COC2H3+CH3O2<=>C2H5CO+CH2CHO+CH3O 3.97E+11 0.0 17050.0 Reverse Arrhenius coefficients: 1.00E+00 0.0 0.04678. C2H5COC2H3+CH3O2<=>PC2H4COC2H3+CH3O2H 3.01E+12 0.0 19380.0 Reverse Arrhenius coefficients: 1.25E+12 1.1 5822.04679. C2H5COC2H3+CH3O2<=>SC2H4COC2H3+CH3O2H 2.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 7.79E+14 -0.7 11900.04680. PC2H4COC2H3<=>C2H3CO+C2H4 5.26E+14 0.4 21460.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 11300.04681. SC2H4COC2H3<=>CH3CHCO+C2H3 1.64E+16 -0.7 54590.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 12600.04682. NC7H16<=>H+C7H15-1 2.68E+88 -21.2 142800.0 Reverse Arrhenius coefficients: 7.26E+84 -20.8 41560.04683. NC7H16<=>H+C7H15-2 1.30E+88 -21.0 139500.0 Reverse Arrhenius coefficients: 2.26E+83 -20.3 40830.04684. NC7H16<=>H+C7H15-3 1.30E+88 -21.0 139500.0 Reverse Arrhenius coefficients: 2.26E+83 -20.3 40830.04685. NC7H16<=>H+C7H15-4 6.50E+87 -21.0 139500.0 Reverse Arrhenius coefficients: 2.25E+83 -20.3 40830.04686. NC7H16(+M)<=>C6H13-1+CH3(+M) 4.32E+24 -2.1 89900.0 Low pressure limit: 0.49630E+43 -0.77800E+01 0.42800E+05 TROE centering: 0.89200E+00 0.10000E+11 0.22280E+01 0.17980E+104687. NC7H16(+M)<=>C5H11-1+C2H5(+M) 6.82E+26 -2.7 88910.0 Low pressure limit: 0.37530E+49 -0.94600E+01 0.41310E+05 TROE centering: 0.90000E-01 0.36556E+01 0.10000E+11 0.93300E+104688. NC7H16(+M)<=>PC4H9+NC3H7(+M) 1.36E+26 -2.5 88760.0 Low pressure limit: 0.65090E+49 -0.95700E+01 0.41290E+05 TROE centering: 0.91100E+00 0.10000E+11 0.22382E+02 0.50000E+104689. NC7H16+H<=>C7H15-1+H2 1.88E+05 2.8 6280.0 Reverse Arrhenius coefficients: 2.04E+01 3.4 8618.04690. NC7H16+H<=>C7H15-2+H2 2.60E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.81E+01 3.4 9318.04691. NC7H16+H<=>C7H15-3+H2 2.60E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.81E+01 3.4 9318.04692. NC7H16+H<=>C7H15-4+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 1.80E+01 3.4 9318.04693. NC7H16+O<=>C7H15-1+OH 1.93E+05 2.7 3716.0 Reverse Arrhenius coefficients: 1.08E+01 3.3 4642.04694. NC7H16+O<=>C7H15-2+OH 9.54E+04 2.7 2106.0 Reverse Arrhenius coefficients: 3.48E-01 3.7 5541.04695. NC7H16+O<=>C7H15-3+OH 9.54E+04 2.7 2106.0 Reverse Arrhenius coefficients: 3.48E-01 3.7 5541.04696. NC7H16+O<=>C7H15-4+OH 4.77E+04 2.7 2106.0 Reverse Arrhenius coefficients: 3.47E-01 3.7 5541.04697. NC7H16+OH<=>C7H15-1+H2O 2.57E+07 1.8 954.0 Reverse Arrhenius coefficients: 2.95E+04 2.3 18180.04698. NC7H16+OH<=>C7H15-2+H2O 4.90E+06 2.0 -596.0 Reverse Arrhenius coefficients: 3.62E+02 2.9 19140.04699. NC7H16+OH<=>C7H15-3+H2O 4.90E+06 2.0 -596.0 Reverse Arrhenius coefficients: 3.62E+02 2.9 19140.04700. NC7H16+OH<=>C7H15-4+H2O 2.45E+06 2.0 -596.0 Reverse Arrhenius coefficients: 3.61E+02 2.9 19140.04701. NC7H16+HO2<=>C7H15-1+H2O2 4.08E+01 3.6 17160.0 Reverse Arrhenius coefficients: 2.56E+00 3.5 3498.04702. NC7H16+HO2<=>C7H15-2+H2O2 1.26E+02 3.4 13720.0 Reverse Arrhenius coefficients: 4.98E-01 3.7 2562.04703. NC7H16+HO2<=>C7H15-3+H2O2 1.26E+02 3.4 13720.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 4.98E-01 3.7 2562.04704. NC7H16+HO2<=>C7H15-4+H2O2 6.32E+01 3.4 13720.0 Reverse Arrhenius coefficients: 4.95E-01 3.7 2562.04705. NC7H16+CH3<=>C7H15-1+CH4 9.04E-01 3.6 7154.0 Reverse Arrhenius coefficients: 8.93E-02 3.8 11030.04706. NC7H16+CH3<=>C7H15-2+CH4 5.41E+04 2.3 7287.0 Reverse Arrhenius coefficients: 3.43E+02 2.8 13670.04707. NC7H16+CH3<=>C7H15-3+CH4 5.41E+04 2.3 7287.0 Reverse Arrhenius coefficients: 3.43E+02 2.8 13670.04708. NC7H16+CH3<=>C7H15-4+CH4 2.70E+04 2.3 7287.0 Reverse Arrhenius coefficients: 3.42E+02 2.8 13670.04709. NC7H16+O2<=>C7H15-1+HO2 4.20E+13 0.0 52800.0 Reverse Arrhenius coefficients: 2.39E+10 0.3 453.04710. NC7H16+O2<=>C7H15-2+HO2 2.80E+13 0.0 50150.0 Reverse Arrhenius coefficients: 1.00E+09 0.6 309.04711. NC7H16+O2<=>C7H15-3+HO2 2.80E+13 0.0 50150.0 Reverse Arrhenius coefficients: 1.00E+09 0.6 309.04712. NC7H16+O2<=>C7H15-4+HO2 1.40E+13 0.0 50150.0 Reverse Arrhenius coefficients: 9.94E+08 0.6 309.04713. NC7H16+C2H5<=>C7H15-1+C2H6 1.00E+11 0.0 13400.0 Reverse Arrhenius coefficients: 3.20E+11 0.0 12300.04714. NC7H16+C2H5<=>C7H15-2+C2H6 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.04715. NC7H16+C2H5<=>C7H15-3+C2H6 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.04716. NC7H16+C2H5<=>C7H15-4+C2H6 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.04717. NC7H16+CH3O<=>C7H15-1+CH3OH 3.16E+11 0.0 7000.0 Reverse Arrhenius coefficients: 1.20E+10 0.0 9200.04718. NC7H16+CH3O<=>C7H15-2+CH3OH 2.19E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.90E+09 0.0 7200.04719. NC7H16+CH3O<=>C7H15-3+CH3OH 2.19E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.90E+09 0.0 7200.04720. NC7H16+CH3O<=>C7H15-4+CH3OH 1.10E+11 0.0 5000.0 Reverse Arrhenius coefficients: 8.90E+09 0.0 7200.04721. NC7H16+C2H3<=>C7H15-1+C2H4 1.00E+12 0.0 18000.0 Reverse Arrhenius coefficients: 2.57E+12 0.0 25400.04722. NC7H16+C2H3<=>C7H15-2+C2H4 8.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.04723. NC7H16+C2H3<=>C7H15-3+C2H4 8.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.04724. NC7H16+C2H3<=>C7H15-4+C2H4 4.00E+11 0.0 16800.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 24200.04725. NC7H16+CH3O2<=>C7H15-1+CH3O2H 1.39E+00 4.0 18280.0 Reverse Arrhenius coefficients: 1.69E+00 3.5 3024.04726. NC7H16+CH3O2<=>C7H15-2+CH3O2H 2.04E+01 3.6 14810.0 Reverse Arrhenius coefficients: 1.56E+00 3.4 2054.04727. NC7H16+CH3O2<=>C7H15-3+CH3O2H 2.04E+01 3.6 14810.0 Reverse Arrhenius coefficients: 1.56E+00 3.4 2054.04728. NC7H16+CH3O2<=>C7H15-4+CH3O2H 1.02E+01 3.6 14810.0 Reverse Arrhenius coefficients: 1.55E+00 3.4 2054.04729. NC7H16+O2CHO<=>C7H15-1+HO2CHO 1.68E+13 0.0 20440.0 Reverse Arrhenius coefficients: 1.17E+03 2.2 3057.04730. NC7H16+O2CHO<=>C7H15-2+HO2CHO 1.12E+13 0.0 17690.0 Reverse Arrhenius coefficients: 2.48E+01 2.6 2823.04731. NC7H16+O2CHO<=>C7H15-3+HO2CHO 1.12E+13 0.0 17690.0 Reverse Arrhenius coefficients: 2.48E+01 2.6 2823.04732. NC7H16+O2CHO<=>C7H15-4+HO2CHO 5.60E+12 0.0 17690.0 Reverse Arrhenius coefficients: 2.47E+01 2.6 2823.04733. NC7H16+C7H15O2-1<=>C7H15-1+C7H15O2H-1 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04734. NC7H16+C7H15O2-2<=>C7H15-1+C7H15O2H-2 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04735. NC7H16+C7H15O2-3<=>C7H15-1+C7H15O2H-3 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04736. NC7H16+C7H15O2-4<=>C7H15-1+C7H15O2H-4 1.21E+13 0.0 20430.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04737. NC7H16+C7H15O2-1<=>C7H15-2+C7H15O2H-1 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04738. NC7H16+C7H15O2-2<=>C7H15-2+C7H15O2H-2 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04739. NC7H16+C7H15O2-3<=>C7H15-2+C7H15O2H-3 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04740. NC7H16+C7H15O2-4<=>C7H15-2+C7H15O2H-4 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04741. NC7H16+C7H15O2-1<=>C7H15-3+C7H15O2H-1 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04742. NC7H16+C7H15O2-2<=>C7H15-3+C7H15O2H-2 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04743. NC7H16+C7H15O2-3<=>C7H15-3+C7H15O2H-3 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04744. NC7H16+C7H15O2-4<=>C7H15-3+C7H15O2H-4 8.06E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04745. NC7H16+C7H15O2-1<=>C7H15-4+C7H15O2H-1 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04746. NC7H16+C7H15O2-2<=>C7H15-4+C7H15O2H-2 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04747. NC7H16+C7H15O2-3<=>C7H15-4+C7H15O2H-3 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04748. NC7H16+C7H15O2-4<=>C7H15-4+C7H15O2H-4 4.03E+12 0.0 17700.0 Reverse Arrhenius coefficients: 1.44E+10 0.0 15000.04749. NC7H16+C7H15-1<=>C7H15-2+NC7H16 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.04750. NC7H16+C7H15-1<=>C7H15-3+NC7H16 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.04751. NC7H16+C7H15-1<=>C7H15-4+NC7H16 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 12300.04752. NC7H16+C7H15-2<=>C7H15-3+NC7H16 1.00E+11 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10400.04753. NC7H16+C7H15-2<=>C7H15-4+NC7H16 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10400.04754. NC7H16+C7H15-3<=>C7H15-4+NC7H16 5.00E+10 0.0 10400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10400.04755. C7H15-1<=>C5H11-1+C2H4 1.23E+19 -1.9 31400.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8200.04756. C7H15-1<=>C7H14-1+H 9.65E+13 -0.3 36010.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.04757. C7H15-2<=>PC4H9+C3H6 9.76E+18 -1.8 31360.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8200.04758. C7H15-2<=>C7H14-1+H 6.07E+12 0.1 36810.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 1200.04759. C7H15-2<=>C7H14-2+H 1.23E+13 -0.1 35640.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.04760. C7H15-3<=>C4H8-1+NC3H7 6.16E+18 -1.7 30960.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7700.04761. C7H15-3<=>C6H12-1+CH3 2.70E+17 -1.4 31480.0 Reverse Arrhenius coefficients: 1.75E+11 0.0 7200.04762. C7H15-3<=>C7H14-2+H 1.23E+13 -0.1 35640.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.04763. C7H15-3<=>C7H14-3+H 9.15E+12 0.0 35730.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.04764. C7H15-4<=>C2H5+C5H10-1 1.14E+18 -1.3 31430.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8200.04765. C7H15-4<=>C7H14-3+H 1.82E+13 0.0 35730.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 2900.04766. C7H15-1+O2<=>C7H14-1+HO2 3.00E-09 0.0 3000.0 Reverse Arrhenius coefficients: 6.52E-10 0.2 18760.04767. C7H15-2+O2<=>C7H14-1+HO2 4.50E-09 0.0 5020.0 Reverse Arrhenius coefficients: 1.53E-08 -0.2 18270.04768. C7H15-2+O2<=>C7H14-2+HO2 3.00E-09 0.0 3000.0 Reverse Arrhenius coefficients: 5.04E-09 0.0 19120.04769. C7H15-3+O2<=>C7H14-2+HO2 3.00E-09 0.0 3000.0 Reverse Arrhenius coefficients: 5.04E-09 0.0 19120.04770. C7H15-3+O2<=>C7H14-3+HO2 3.00E-09 0.0 3000.0 Reverse Arrhenius coefficients: 6.77E-09 -0.1 19030.04771. C7H15-4+O2<=>C7H14-3+HO2 6.00E-09 0.0 3000.0 Reverse Arrhenius coefficients: 6.79E-09 -0.1 19030.04772. C7H15-1<=>C7H15-3 1.39E+09 1.0 33760.0 Reverse Arrhenius coefficients: 8.72E+07 1.3 36270.04773. C7H15-1<=>C7H15-4 2.54E+09 0.3 19760.0 Reverse Arrhenius coefficients: 3.18E+08 0.7 22270.04774. C7H15-2<=>C7H15-3 9.59E+08 1.4 39700.0 Reverse Arrhenius coefficients: 9.59E+08 1.4 39700.04775. C7H15-1<=>C7H15-2 5.48E+08 1.6 38760.0 Reverse Arrhenius coefficients: 3.44E+07 2.0 41270.04776. C7H14-1+H<=>C7H131-3+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 4.39E+06 2.1 20620.04777. C7H14-1+H<=>C7H131-4+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 3.83E+03 2.7 11540.04778. C7H14-1+H<=>C7H131-5+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 3.83E+03 2.7 11540.04779. C7H14-1+H<=>C7H131-6+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 3.83E+03 2.7 11540.04780. C7H14-1+H<=>C7H131-7+H2 6.65E+05 2.5 6756.0 Reverse Arrhenius coefficients: 3.06E+04 2.5 11320.04781. C7H14-1+OH<=>C7H131-3+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 1.56E+06 2.4 33650.04782. C7H14-1+OH<=>C7H131-4+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 5.96E+05 1.9 22190.04783. C7H14-1+OH<=>C7H131-5+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 5.96E+05 1.9 22190.04784. C7H14-1+OH<=>C7H131-6+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 5.96E+05 1.9 22190.04785. C7H14-1+OH<=>C7H131-7+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.05E+09 1.0 21300.04786. C7H14-1+CH3<=>C7H131-3+CH4 3.69E+00 3.3 4002.0 Reverse Arrhenius coefficients: 1.25E+03 3.0 24890.04787. C7H14-1+CH3<=>C7H131-4+CH4 1.51E+00 3.5 5481.0 Reverse Arrhenius coefficients: 1.16E-01 3.8 13030.04788. C7H14-1+CH3<=>C7H131-5+CH4 1.51E+00 3.5 5481.0 Reverse Arrhenius coefficients: 1.16E-01 3.8 13030.04789. C7H14-1+CH3<=>C7H131-6+CH4 1.51E+00 3.5 5481.0 Reverse Arrhenius coefficients: 1.16E-01 3.8 13030.04790. C7H14-1+CH3<=>C7H131-7+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 5.43E-01 3.6 12190.04791. C7H14-1+HO2<=>C7H131-3+H2O2 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.61E+06 2.0 14630.04792. C7H14-1+HO2<=>C7H131-4+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 7.31E+02 2.6 4672.04793. C7H14-1+HO2<=>C7H131-5+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 7.31E+02 2.6 4672.04794. C7H14-1+HO2<=>C7H131-6+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 7.31E+02 2.6 4672.04795. C7H14-1+HO2<=>C7H131-7+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.81E+04 2.2 4746.04796. C7H14-1+CH3O2<=>C7H131-3+CH3O2H 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.36E+06 1.8 11610.04797. C7H14-1+CH3O2<=>C7H131-4+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.52E+03 2.4 1652.04798. C7H14-1+CH3O2<=>C7H131-5+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.52E+03 2.4 1652.04799. C7H14-1+CH3O2<=>C7H131-6+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.52E+03 2.4 1652.04800. C7H14-1+CH3O2<=>C7H131-7+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.85E+04 2.0 1726.04801. C7H14-1+CH3O<=>C7H131-3+CH3OH 4.00E+01 2.9 8609.0 Reverse Arrhenius coefficients: 2.51E+02 2.7 27290.04802. C7H14-1+CH3O<=>C7H131-4+CH3OH 1.45E+11 0.0 4571.0 Reverse Arrhenius coefficients: 2.06E+08 0.4 9911.04803. C7H14-1+CH3O<=>C7H131-5+CH3OH 1.45E+11 0.0 4571.0 Reverse Arrhenius coefficients: 2.06E+08 0.4 9911.04804. C7H14-1+CH3O<=>C7H131-6+CH3OH 1.45E+11 0.0 4571.0 Reverse Arrhenius coefficients: 2.06E+08 0.4 9911.04805. C7H14-1+CH3O<=>C7H131-7+CH3OH 2.17E+11 0.0 6458.0 Reverse Arrhenius coefficients: 4.81E+09 0.0 9288.04806. C7H14-2+H<=>C7H131-3+H2 1.73E+05 2.5 2492.0 Reverse Arrhenius coefficients: 4.56E+06 2.1 20030.04807. C7H14-2+H<=>C7H132-4+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 4.40E+06 2.1 20590.04808. C7H14-2+H<=>C7H132-5+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 3.84E+03 2.7 11520.04809. C7H14-2+H<=>C7H132-6+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 3.84E+03 2.7 11520.0

SUPPLEMENTAL MATERIAL4810. C7H14-2+H<=>C7H132-7+H2 6.65E+05 2.5 6756.0 Reverse Arrhenius coefficients: 3.15E+04 2.5 11300.04811. C7H14-2+OH<=>C7H131-3+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 3.56E+08 1.6 32400.04812. C7H14-2+OH<=>C7H132-4+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 1.56E+06 2.4 33620.04813. C7H14-2+OH<=>C7H132-5+H2O 4.67E+05 1.6 -35.0 Reverse Arrhenius coefficients: 5.98E+03 1.9 22170.04814. C7H14-2+OH<=>C7H132-6+H2O 4.67E+05 1.6 -35.0 Reverse Arrhenius coefficients: 5.98E+03 1.9 22170.04815. C7H14-2+OH<=>C7H132-7+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.08E+09 1.0 21280.04816. C7H14-2+CH3<=>C7H131-3+CH4 2.21E+00 3.5 5675.0 Reverse Arrhenius coefficients: 1.52E+03 3.1 23700.04817. C7H14-2+CH3<=>C7H132-4+CH4 3.69E+00 3.3 4002.0 Reverse Arrhenius coefficients: 1.26E+03 3.0 24860.04818. C7H14-2+CH3<=>C7H132-5+CH4 1.51E+00 3.5 5481.0 Reverse Arrhenius coefficients: 1.17E-01 3.8 13010.04819. C7H14-2+CH3<=>C7H132-6+CH4 1.51E+00 3.5 5481.0 Reverse Arrhenius coefficients: 1.17E-01 3.8 13010.04820. C7H14-2+CH3<=>C7H132-7+CH4 4.52E-01 3.6 7154.0 Reverse Arrhenius coefficients: 5.59E-01 3.6 12170.04821. C7H14-2+HO2<=>C7H131-3+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 6.53E+06 1.8 15140.04822. C7H14-2+HO2<=>C7H132-4+H2O2 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.62E+06 2.0 14600.04823. C7H14-2+HO2<=>C7H132-5+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 7.32E+02 2.6 4652.04824. C7H14-2+HO2<=>C7H132-6+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 7.32E+02 2.6 4652.04825. C7H14-2+HO2<=>C7H132-7+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.90E+04 2.2 4726.04826. C7H14-2+CH3O2<=>C7H131-3+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.36E+07 1.7 12120.04827. C7H14-2+CH3O2<=>C7H132-4+CH3O2H 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.36E+06 1.8 11580.04828. C7H14-2+CH3O2<=>C7H132-5+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.52E+03 2.4 1632.04829. C7H14-2+CH3O2<=>C7H132-6+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.52E+03 2.4 1632.04830. C7H14-2+CH3O2<=>C7H132-7+CH3O2H 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 6.03E+04 2.0 1706.04831. C7H14-2+CH3O<=>C7H131-3+CH3OH 9.00E+01 3.0 11990.0 Reverse Arrhenius coefficients: 1.14E+03 2.5 27800.04832. C7H14-2+CH3O<=>C7H132-4+CH3OH 4.00E+01 2.9 8609.0 Reverse Arrhenius coefficients: 2.51E+02 2.7 27260.04833. C7H14-2+CH3O<=>C7H132-5+CH3OH 1.45E+11 0.0 4571.0 Reverse Arrhenius coefficients: 2.07E+08 0.4 9891.04834. C7H14-2+CH3O<=>C7H132-6+CH3OH 1.45E+11 0.0 4571.0 Reverse Arrhenius coefficients: 2.07E+08 0.4 9891.04835. C7H14-2+CH3O<=>C7H132-7+CH3OH 2.17E+11 0.0 6458.0 Reverse Arrhenius coefficients: 4.95E+09 0.0 9268.04836. C7H14-3+H<=>C7H133-1+H2 6.65E+05 2.5 6756.0 Reverse Arrhenius coefficients: 3.10E+04 2.5 11260.04837. C7H14-3+H<=>C7H132-4+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 3.28E+06 2.2 20680.04838. C7H14-3+H<=>C7H133-5+H2 3.38E+05 2.4 207.0 Reverse Arrhenius coefficients: 4.38E+06 2.1 20560.04839. C7H14-3+H<=>C7H133-6+H2 1.30E+06 2.4 4471.0 Reverse Arrhenius coefficients: 3.92E+03 2.7 11490.04840. C7H14-3+H<=>C7H133-7+H2 6.65E+05 2.5 6756.0 Reverse Arrhenius coefficients: 3.10E+04 2.5 11260.04841. C7H14-3+OH<=>C7H133-1+H2O 1.05E+10 1.0 1586.0 Reverse Arrhenius coefficients: 2.12E+09 1.0 21240.04842. C7H14-3+OH<=>C7H132-4+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 1.16E+06 2.4 33710.04843. C7H14-3+OH<=>C7H133-5+H2O 2.76E+04 2.6 -1919.0 Reverse Arrhenius coefficients: 1.55E+06 2.4 33590.04844. C7H14-3+OH<=>C7H133-6+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 6.09E+05 1.9 22140.04845. C7H14-3+OH<=>C7H133-7+H2O 1.05E+10 1.0 1586.0 Reverse Arrhenius coefficients: 2.12E+09 1.0 21240.04846. C7H14-3+CH3<=>C7H133-1+CH4 9.04E-01 3.6 7154.0 Reverse Arrhenius coefficients: 1.10E+00 3.6 12130.04847. C7H14-3+CH3<=>C7H132-4+CH4 3.69E+00 3.3 4002.0 Reverse Arrhenius coefficients: 9.36E+02 3.1 24950.04848. C7H14-3+CH3<=>C7H133-5+CH4 3.69E+00 3.3 4002.0 Reverse Arrhenius coefficients: 1.25E+03 3.0 24830.04849. C7H14-3+CH3<=>C7H133-6+CH4 1.51E+00 3.5 5481.0 Reverse Arrhenius coefficients: 1.19E-01 3.8 12980.04850. C7H14-3+CH3<=>C7H133-7+CH4 9.04E-01 3.6 7154.0 Reverse Arrhenius coefficients: 1.10E+00 3.6 12130.04851. C7H14-3+HO2<=>C7H133-1+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.70E+04 2.2 4686.04852. C7H14-3+HO2<=>C7H132-4+H2O2 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.20E+06 2.0 14690.04853. C7H14-3+HO2<=>C7H133-5+H2O2 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 1.61E+06 2.0 14570.04854. C7H14-3+HO2<=>C7H133-6+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 7.46E+02 2.6 4622.04855. C7H14-3+HO2<=>C7H133-7+H2O2 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 5.70E+04 2.2 4686.04856. C7H14-3+CH3O2<=>C7H133-1+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.19E+05 2.0 1666.04857. C7H14-3+CH3O2<=>C7H132-4+CH3O2H 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 2.50E+06 1.9 11670.04858. C7H14-3+CH3O2<=>C7H133-5+CH3O2H 4.82E+03 2.5 10530.0 Reverse Arrhenius coefficients: 3.35E+06 1.8 11550.04859. C7H14-3+CH3O2<=>C7H133-6+CH3O2H 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 1.55E+03 2.4 1602.04860. C7H14-3+CH3O2<=>C7H133-7+CH3O2H 4.76E+04 2.5 16490.0 Reverse Arrhenius coefficients: 1.19E+05 2.0 1666.04861. C7H14-3+CH3O<=>C7H133-1+CH3OH 4.34E+11 0.0 6458.0 Reverse Arrhenius coefficients: 9.74E+09 0.0 9228.04862. C7H14-3+CH3O<=>C7H132-4+CH3OH 4.00E+01 2.9 8609.0 Reverse Arrhenius coefficients: 1.87E+02 2.7 27350.04863. C7H14-3+CH3O<=>C7H133-5+CH3OH 4.00E+01 2.9 8609.0 Reverse Arrhenius coefficients: 2.50E+02 2.7 27230.04864. C7H14-3+CH3O<=>C7H133-6+CH3OH 1.45E+11 0.0 4571.0 Reverse Arrhenius coefficients: 2.11E+08 0.4 9861.04865. C7H14-3+CH3O<=>C7H133-7+CH3OH 4.34E+11 0.0 6458.0 Reverse Arrhenius coefficients: 9.74E+09 0.0 9228.04866. C7H131-3+HO2<=>C7H13O1-3+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 4.44E+15 -1.0 15400.04867. C7H131-3+CH3O2<=>C7H13O1-3+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 4.33E+17 -1.6 20160.04868. C7H131-3+C2H5O2<=>C7H13O1-3+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.84E+14 -0.7 18000.04869. C7H131-3<=>C4H6+NC3H7 1.10E+19 -1.5 40700.0 Reverse Arrhenius coefficients: 8.50E+10 0.0 8300.04870. C7H131-4<=>C5H10-1+C2H3 2.49E+12 0.0 37300.0 Reverse Arrhenius coefficients: 8.50E+10 0.0 8300.04871. C7H131-4<=>C5H81-3+C2H5 2.29E+14 -0.7 22050.0 Reverse Arrhenius coefficients: 8.50E+10 0.0 8300.04872. C7H131-5<=>C4H8-1+C3H5-A 6.18E+15 -1.2 17980.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 8300.04873. C7H131-6<=>C3H6+C4H71-4 1.24E+17 -1.2 30740.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.04874. C7H131-7<=>C2H4+C5H91-5 9.42E+17 -1.6 31180.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.04875. C7H132-4+HO2<=>C7H13O2-4+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 4.27E+15 -1.0 15430.04876. C7H132-4+CH3O2<=>C7H13O2-4+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 4.17E+17 -1.6 20190.04877. C7H132-4+C2H5O2<=>C7H13O2-4+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.73E+14 -0.7 18030.04878. C7H132-5<=>C4H8-1+C3H5-S 9.42E+17 -1.5 44260.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.04879. C7H132-6<=>C3H6+C4H71-3 2.19E+14 -0.7 17740.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.04880. C7H132-7<=>C2H4+C5H92-5 9.79E+17 -1.6 31160.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.04881. C7H133-1<=>C2H4+C5H91-1 1.01E+17 -1.3 43990.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.04882. C7H133-5+HO2<=>C7H13O3-5+OH 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.18E+15 -0.8 15270.04883. C7H133-5+CH3O2<=>C7H13O3-5+CH3O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 1.16E+17 -1.4 20030.04884. C7H133-5+C2H5O2<=>C7H13O3-5+C2H5O 9.64E+12 0.0 0.0 Reverse Arrhenius coefficients: 7.56E+13 -0.5 17870.04885. C7H133-6<=>C3H6+C4H71-1 1.35E+16 -0.9 43560.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.04886. C7H133-7<=>C2H4+C5H91-3 2.27E+15 -1.2 18050.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.04887. C7H13O1-3<=>C2H3CHO+PC4H9 9.62E+19 -2.0 10850.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.04888. C7H13O1-3<=>NC4H9CHO+C2H3 1.03E+18 -1.5 23300.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.04889. C7H13O2-4<=>SC3H5CHO+NC3H7 6.32E+19 -1.9 11130.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.04890. C7H13O2-4<=>NC3H7CHO+C3H5-S 1.01E+22 -2.5 29190.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.04891. C7H13O3-5<=>C4H7CHO1-1+C2H5 6.03E+18 -1.6 10450.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.04892. C7H13O3-5<=>C2H5CHO+C4H71-1 6.42E+21 -2.4 30090.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.04893. C7H14-1+OH<=>CH2O+C6H13-1 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4894. C7H14-1+OH<=>CH3CHO+C5H11-1 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4895. C7H14-2+OH<=>CH3CHO+C5H11-1 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4896. C7H14-2+OH<=>C2H5CHO+PC4H9 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4897. C7H14-3+OH<=>C2H5CHO+PC4H9 1.00E+11 0.0 -4000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4898. C7H14-1+O<=>CH2CHO+C5H11-1 1.00E+11 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4899. C7H14-2+O<=>CH3CHO+C5H10-1 1.00E+11 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4900. C7H14-3+O<=>CH3CHO+C5H10-1 1.00E+11 0.0 -1050.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4901. C7H14-1<=>PC4H9+C3H5-A 3.17E+21 -1.6 75330.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.04902. C7H14-2<=>C4H71-3+NC3H7 3.74E+21 -1.7 75710.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.04903. C7H14-3<=>C5H91-3+C2H5 5.95E+21 -1.9 75790.0 Reverse Arrhenius coefficients: 1.00E+13 0.0 0.04904. C7H15O2-1<=>C7H15-1+O2 2.66E+20 -1.7 35400.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.04905. C7H15O2-2<=>C7H15-2+O2 1.36E+23 -2.4 37670.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04906. C7H15O2-3<=>C7H15-3+O2 1.36E+23 -2.4 37670.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04907. C7H15O2-4<=>C7H15-4+O2 1.36E+23 -2.4 37670.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.04908. C7H15-1+C7H15O2-1<=>C7H15O-1+C7H15O-1 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.12E+14 -0.2 30250.04909. C7H15-1+C7H15O2-2<=>C7H15O-1+C7H15O-2 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.35E+13 -0.2 29880.04910. C7H15-1+C7H15O2-3<=>C7H15O-1+C7H15O-3 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.35E+13 -0.2 29880.04911. C7H15-1+C7H15O2-4<=>C7H15O-1+C7H15O-4 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 6.35E+13 -0.2 29880.04912. C7H15-2+C7H15O2-1<=>C7H15O-2+C7H15O-1 7.00E+12 0.0 -1000.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 9.69E+15 -0.8 32160.04913. C7H15-2+C7H15O2-2<=>C7H15O-2+C7H15O-2 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.51E+15 -0.7 31790.04914. C7H15-2+C7H15O2-3<=>C7H15O-2+C7H15O-3 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.51E+15 -0.7 31790.04915. C7H15-2+C7H15O2-4<=>C7H15O-2+C7H15O-4 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.51E+15 -0.7 31790.04916. C7H15-3+C7H15O2-1<=>C7H15O-3+C7H15O-1 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.69E+15 -0.8 32160.04917. C7H15-3+C7H15O2-2<=>C7H15O-3+C7H15O-2 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.51E+15 -0.7 31790.04918. C7H15-3+C7H15O2-3<=>C7H15O-3+C7H15O-3 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.51E+15 -0.7 31790.04919. C7H15-3+C7H15O2-4<=>C7H15O-3+C7H15O-4 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.51E+15 -0.7 31790.04920. C7H15-4+C7H15O2-1<=>C7H15O-4+C7H15O-1 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 9.69E+15 -0.8 32160.04921. C7H15-4+C7H15O2-2<=>C7H15O-4+C7H15O-2 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.51E+15 -0.7 31790.04922. C7H15-4+C7H15O2-3<=>C7H15O-4+C7H15O-3 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.51E+15 -0.7 31790.04923. C7H15-4+C7H15O2-4<=>C7H15O-4+C7H15O-4 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 5.51E+15 -0.7 31790.04924. C7H15-1+HO2<=>C7H15O-1+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.55E+15 -0.6 26160.04925. C7H15-2+HO2<=>C7H15O-2+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.08E+17 -1.1 28070.04926. C7H15-3+HO2<=>C7H15O-3+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.08E+17 -1.1 28070.04927. C7H15-4+HO2<=>C7H15O-4+OH 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 3.08E+17 -1.1 28070.04928. C7H15-1+CH3O2<=>C7H15O-1+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 2.22E+14 -0.3 30400.04929. C7H15-2+CH3O2<=>C7H15O-2+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.93E+16 -0.8 32310.04930. C7H15-3+CH3O2<=>C7H15O-3+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.93E+16 -0.8 32310.04931. C7H15-4+CH3O2<=>C7H15O-4+CH3O 7.00E+12 0.0 -1000.0 Reverse Arrhenius coefficients: 1.93E+16 -0.8 32310.04932. C7H15O2-1<=>C7H14-1+HO2 1.00E+39 -8.1 41490.0 Reverse Arrhenius coefficients: 9.29E+29 -6.2 20860.04933. C7H15O2-2<=>C7H14-1+HO2 1.01E+43 -9.4 42490.0 Reverse Arrhenius coefficients: 9.60E+32 -7.2 17070.04934. C7H15O2-2<=>C7H14-2+HO2 1.00E+39 -8.1 41490.0 Reverse Arrhenius coefficients: 4.71E+28 -5.7 18940.04935. C7H15O2-3<=>C7H14-2+HO2 1.00E+39 -8.1 41490.0 Reverse Arrhenius coefficients: 4.71E+28 -5.7 18940.04936. C7H15O2-3<=>C7H14-3+HO2 1.00E+39 -8.1 41490.0 Reverse Arrhenius coefficients: 6.32E+28 -5.8 18850.04937. C7H15O2-4<=>C7H14-3+HO2 2.01E+39 -8.1 41490.0 Reverse Arrhenius coefficients: 6.35E+28 -5.8 18850.04938. C7H15O2-1<=>C7H14OOH1-2 2.00E+11 0.0 26450.04939. C7H15O2-1<=>C7H14OOH1-3 2.50E+10 0.0 20450.04940. C7H15O2-1<=>C7H14OOH1-4 3.12E+09 0.0 18650.04941. C7H15O2-1<=>C7H14OOH1-5 3.91E+08 0.0 21650.04942. C7H15O2-2<=>C7H14OOH2-1 3.00E+11 0.0 29000.04943. C7H15O2-2<=>C7H14OOH2-3 2.00E+11 0.0 26450.04944. C7H15O2-2<=>C7H14OOH2-4 2.50E+10 0.0 20450.04945. C7H15O2-2<=>C7H14OOH2-5 3.12E+09 0.0 18650.04946. C7H15O2-2<=>C7H14OOH2-6 3.91E+08 0.0 21650.04947. C7H15O2-3<=>C7H14OOH3-1 3.75E+10 0.0 24000.04948. C7H15O2-3<=>C7H14OOH3-2 2.00E+11 0.0 26450.04949. C7H15O2-3<=>C7H14OOH3-4 2.00E+11 0.0 26450.04950. C7H15O2-3<=>C7H14OOH3-5 2.50E+10 0.0 20450.04951. C7H15O2-3<=>C7H14OOH3-6 3.12E+09 0.0 18650.04952. C7H15O2-3<=>C7H14OOH3-7 5.86E+08 0.0 25150.04953. C7H15O2-4<=>C7H14OOH4-1 9.38E+09 0.0 21950.04954. C7H15O2-4<=>C7H14OOH4-2 5.00E+10 0.0 20450.04955. C7H15O2-4<=>C7H14OOH4-3 4.00E+11 0.0 26450.04956. C7H15O2-1+HO2<=>C7H15O2H-1+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 3.78E+13 -0.8 34010.04957. C7H15O2-2+HO2<=>C7H15O2H-2+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.50E+13 -0.8 34040.04958. C7H15O2-3+HO2<=>C7H15O2H-3+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.50E+13 -0.8 34040.04959. C7H15O2-4+HO2<=>C7H15O2H-4+O2 1.75E+10 0.0 -3275.0 Reverse Arrhenius coefficients: 4.50E+13 -0.8 34040.04960. H2O2+C7H15O2-1<=>HO2+C7H15O2H-1 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.04961. H2O2+C7H15O2-2<=>HO2+C7H15O2H-2 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.04962. H2O2+C7H15O2-3<=>HO2+C7H15O2H-3 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.04963. H2O2+C7H15O2-4<=>HO2+C7H15O2H-4 2.40E+12 0.0 10000.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 10000.04964. C7H15O2-1+CH3O2<=>C7H15O-1+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4965. C7H15O2-2+CH3O2<=>C7H15O-2+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4966. C7H15O2-3+CH3O2<=>C7H15O-3+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4967. C7H15O2-4+CH3O2<=>C7H15O-4+CH3O+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4968. C7H15O2-1+C7H15O2-1<=>O2+C7H15O-1+C7H15O-1 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4969. C7H15O2-1+C7H15O2-2<=>C7H15O-1+C7H15O-2+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4970. C7H15O2-1+C7H15O2-3<=>C7H15O-1+C7H15O-3+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4971. C7H15O2-1+C7H15O2-4<=>C7H15O-1+C7H15O-4+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4972. C7H15O2-2+C7H15O2-2<=>O2+C7H15O-2+C7H15O-2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4973. C7H15O2-2+C7H15O2-3<=>C7H15O-2+C7H15O-3+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4974. C7H15O2-2+C7H15O2-4<=>C7H15O-2+C7H15O-4+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4975. C7H15O2-3+C7H15O2-3<=>O2+C7H15O-3+C7H15O-3 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4976. C7H15O2-3+C7H15O2-4<=>C7H15O-3+C7H15O-4+O2 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4977. C7H15O2-4+C7H15O2-4<=>O2+C7H15O-4+C7H15O-4 1.40E+16 -1.6 1860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4978. C7H15O2H-1<=>C7H15O-1+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 1.99E+07 1.9 -6522.04979. C7H15O2H-2<=>C7H15O-2+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 9.52E+06 2.0 -6922.04980. C7H15O2H-3<=>C7H15O-3+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 9.52E+06 2.0 -6922.04981. C7H15O2H-4<=>C7H15O-4+OH 1.00E+16 0.0 39000.0 Reverse Arrhenius coefficients: 9.52E+06 2.0 -6922.04982. C7H15O-1<=>CH2O+C6H13-1 6.02E+20 -2.2 24830.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.04983. C7H15O-2<=>CH3CHO+C5H11-1 1.48E+22 -2.5 20370.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.04984. C7H15O-3<=>C2H5CHO+PC4H9 6.57E+17 -1.2 19370.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.04985. C7H15O-4<=>NC3H7CHO+NC3H7 4.77E+22 -2.6 21820.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 12900.04986. C7H14-1+HO2=C7H14OOH1-2 2.50E+03 2.5 11200.04987. C7H14-1+HO2=C7H14OOH2-1 2.70E+03 2.5 10500.04988. C7H14-2+HO2=C7H14OOH2-3 2.70E+03 2.5 10500.04989. C7H14-2+HO2=C7H14OOH3-2 2.70E+03 2.5 10500.04990. C7H14-3+HO2=C7H14OOH3-4 2.70E+03 2.5 10500.04991. C7H14-3+HO2=C7H14OOH4-3 2.70E+03 2.5 10500.04992. C7H14OOH1-2<=>C7H14O1-2+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4993. C7H14OOH1-3<=>C7H14O1-3+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4994. C7H14OOH1-4<=>C7H14O1-4+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4995. C7H14OOH1-5<=>C7H14O1-5+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4996. C7H14OOH2-1<=>C7H14O1-2+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4997. C7H14OOH2-3<=>C7H14O2-3+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4998. C7H14OOH2-4<=>C7H14O2-4+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible4999. C7H14OOH2-5<=>C7H14O2-5+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5000. C7H14OOH2-6<=>C7H14O2-6+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5001. C7H14OOH3-1<=>C7H14O1-3+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5002. C7H14OOH3-2<=>C7H14O2-3+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5003. C7H14OOH3-4<=>C7H14O3-4+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5004. C7H14OOH3-5<=>C7H14O3-5+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5005. C7H14OOH3-6<=>C7H14O2-5+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5006. C7H14OOH3-7<=>C7H14O1-5+OH 1.17E+09 0.0 1800.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5007. C7H14OOH4-1<=>C7H14O1-4+OH 9.38E+09 0.0 7000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5008. C7H14OOH4-2<=>C7H14O2-4+OH 7.50E+10 0.0 15250.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5009. C7H14OOH4-3<=>C7H14O3-4+OH 6.00E+11 0.0 22000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5010. C7H14OOH1-3<=>OH+CH2O+C6H12-1 2.15E+09 1.2 30370.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5011. C7H14OOH2-4<=>OH+CH3CHO+C5H10-1 1.55E+12 0.6 30090.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5012. C7H14OOH3-1<=>OH+NC4H9CHO+C2H4 8.18E+13 -0.1 31330.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5013. C7H14OOH3-5<=>OH+C2H5CHO+C4H8-1 2.66E+13 0.1 30430.0

SUPPLEMENTAL MATERIAL REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5014. C7H14OOH4-2<=>OH+NC3H7CHO+C3H6 6.19E+13 0.1 30840.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5015. C7H14OOH1-3<=>C4H7OOH1-4+NC3H7 1.61E+12 0.5 27740.0 Reverse Arrhenius coefficients: 2.20E+03 2.5 6130.05016. C7H14OOH1-4<=>C5H10-1+C2H4+HO2 1.45E+11 0.7 30820.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5017. C7H14OOH1-4<=>C5H9OOH1-5+C2H5 1.72E+12 0.5 27900.0 Reverse Arrhenius coefficients: 2.20E+03 2.5 6130.05018. C7H14OOH2-4<=>C5H9OOH1-4+C2H5 4.08E+12 0.3 29230.0 Reverse Arrhenius coefficients: 2.20E+03 2.5 6130.05019. C7H14OOH2-5<=>C4H8-1+C3H6OOH2-1 6.86E+13 0.0 31380.0 Reverse Arrhenius coefficients: 2.20E+03 2.5 6130.05020. C7H14OOH2-5<=>C6H11OOH1-5+CH3 7.42E+10 0.8 30260.0 Reverse Arrhenius coefficients: 2.20E+03 2.5 6130.05021. C7H14OOH3-5<=>C6H11OOH1-4+CH3 7.42E+10 0.8 30260.0 Reverse Arrhenius coefficients: 2.20E+03 2.5 6130.05022. C7H14OOH3-6<=>C4H8OOH2-1+C3H6 4.58E+11 0.6 29170.0 Reverse Arrhenius coefficients: 2.20E+03 2.5 6130.05023. C7H14OOH4-1<=>C5H10OOH2-1+C2H4 1.64E+12 0.4 29320.0 Reverse Arrhenius coefficients: 2.20E+03 2.5 6130.05024. C7H14OOH1-2O2<=>C7H14OOH1-2+O2 1.37E+23 -2.4 37640.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05025. C7H14OOH1-3O2<=>C7H14OOH1-3+O2 1.37E+23 -2.4 37640.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05026. C7H14OOH1-4O2<=>C7H14OOH1-4+O2 1.37E+23 -2.4 37640.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05027. C7H14OOH1-5O2<=>C7H14OOH1-5+O2 1.37E+23 -2.4 37640.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05028. C7H14OOH2-1O2<=>C7H14OOH2-1+O2 3.32E+20 -1.6 35280.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.05029. C7H14OOH2-3O2<=>C7H14OOH2-3+O2 1.39E+23 -2.4 37600.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05030. C7H14OOH2-4O2<=>C7H14OOH2-4+O2 1.39E+23 -2.4 37600.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05031. C7H14OOH2-5O2<=>C7H14OOH2-5+O2 1.39E+23 -2.4 37600.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05032. C7H14OOH2-6O2<=>C7H14OOH2-6+O2 1.39E+23 -2.4 37600.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05033. C7H14OOH3-1O2<=>C7H14OOH3-1+O2 3.32E+20 -1.6 35280.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.05034. C7H14OOH3-2O2<=>C7H14OOH3-2+O2 1.39E+23 -2.4 37600.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05035. C7H14OOH3-4O2<=>C7H14OOH3-4+O2 1.39E+23 -2.4 37600.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05036. C7H14OOH3-5O2<=>C7H14OOH3-5+O2 1.39E+23 -2.4 37600.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05037. C7H14OOH3-6O2<=>C7H14OOH3-6+O2 1.39E+23 -2.4 37600.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05038. C7H14OOH3-7O2<=>C7H14OOH3-7+O2 3.32E+20 -1.6 35280.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.05039. C7H14OOH4-1O2<=>C7H14OOH4-1+O2 1.67E+20 -1.6 35280.0 Reverse Arrhenius coefficients: 4.52E+12 0.0 0.05040. C7H14OOH4-2O2<=>C7H14OOH4-2+O2 6.97E+22 -2.4 37600.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05041. C7H14OOH4-3O2<=>C7H14OOH4-3+O2 6.97E+22 -2.4 37600.0 Reverse Arrhenius coefficients: 7.54E+12 0.0 0.05042. C7H14OOH1-2O2<=>NC7KET12+OH 2.00E+11 0.0 26000.05043. C7H14OOH1-3O2<=>NC7KET13+OH 2.50E+10 0.0 21000.05044. C7H14OOH1-4O2<=>NC7KET14+OH 3.12E+09 0.0 18950.05045. C7H14OOH1-5O2<=>NC7KET15+OH 3.91E+08 0.0 22150.05046. C7H14OOH2-1O2<=>NC7KET21+OH 1.00E+11 0.0 23450.05047. C7H14OOH2-3O2<=>NC7KET23+OH 1.00E+11 0.0 23450.05048. C7H14OOH2-4O2<=>NC7KET24+OH 1.25E+10 0.0 17450.05049. C7H14OOH2-5O2<=>NC7KET25+OH 1.56E+09 0.0 15650.05050. C7H14OOH2-6O2<=>NC7KET26+OH 1.95E+08 0.0 18650.05051. C7H14OOH3-1O2<=>NC7KET31+OH 1.25E+10 0.0 17450.05052. C7H14OOH3-2O2<=>NC7KET32+OH 1.00E+11 0.0 23450.05053. C7H14OOH3-4O2<=>NC7KET34+OH 1.00E+11 0.0 23450.05054. C7H14OOH3-5O2<=>NC7KET35+OH 1.25E+10 0.0 17450.05055. C7H14OOH3-6O2<=>NC7KET36+OH 1.56E+09 0.0 15650.05056. C7H14OOH3-7O2<=>NC7KET37+OH 1.95E+08 0.0 18650.05057. C7H14OOH4-1O2<=>NC7KET41+OH 1.56E+09 0.0 15650.05058. C7H14OOH4-2O2<=>NC7KET42+OH 1.25E+10 0.0 17450.05059. C7H14OOH4-3O2<=>NC7KET43+OH 1.00E+11 0.0 23450.05060. NC7KET12<=>NC5H11CHO+HCO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5061. NC7KET13<=>NC4H9CHO+CH2CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5062. NC7KET14<=>NC3H7CHO+CH2CH2CHO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5063. NC7KET15<=>C2H5CHO+C3H6CHO-1+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5064. NC7KET21<=>CH2O+NC5H11CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5065. NC7KET23<=>NC4H9CHO+CH3CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5066. NC7KET24<=>NC3H7CHO+CH3COCH2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5067. NC7KET25<=>C2H5CHO+CH2CH2COCH3+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5068. NC7KET26<=>CH3CHO+C3H6COCH3-1+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5069. NC7KET31<=>CH2O+NC4H9COCH2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5070. NC7KET32<=>CH3CHO+NC4H9CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5071. NC7KET34<=>NC3H7CHO+C2H5CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5072. NC7KET35<=>C2H5CHO+C2H5COCH2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5073. NC7KET36<=>CH3CHO+C2H5COC2H4P+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5074. NC7KET37<=>CH2O+C3H6COC2H5-1+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5075. NC7KET41<=>CH2O+NC3H7COC2H4P+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5076. NC7KET42<=>CH3CHO+NC3H7COCH2+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5077. NC7KET43<=>C2H5CHO+NC3H7CO+OH 1.00E+16 0.0 39000.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5078. C7H14O1-2+OH<=>PC4H9+C2H3CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5079. C7H14O1-3+OH<=>C6H12-1+HCO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5080. C7H14O1-4+OH<=>C5H10-1+CH2CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5081. C7H14O1-5+OH<=>C4H8-1+CH2CH2CHO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5082. C7H14O2-3+OH<=>C2H3COCH3+NC3H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5083. C7H14O2-4+OH<=>CH3CO+C5H10-1+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5084. C7H14O2-5+OH<=>CH3COCH2+C4H8-1+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5085. C7H14O2-6+OH<=>CH2CH2COCH3+C3H6+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5086. C7H14O3-4+OH<=>C2H5COC2H3+C2H5+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5087. C7H14O3-5+OH<=>C2H5CO+C4H8-1+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5088. C7H14O1-2+OH<=>CH2CO+C5H11-1+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5089. C7H14O1-3+OH<=>C2H4+NC4H9CO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5090. C7H14O1-4+OH<=>C2H4+NC3H7COCH2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5091. C7H14O1-5+OH<=>C2H4+C2H5COC2H4P+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5092. C7H14O2-3+OH<=>CH3CHCO+PC4H9+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5093. C7H14O2-4+OH<=>C3H6+NC3H7CO+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5094. C7H14O2-5+OH<=>C3H6+C2H5COCH2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5095. C7H14O2-6+OH<=>CH3CHO+C5H91-4+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5096. C7H14O3-4+OH<=>C2H5CHCO+NC3H7+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5097. C7H14O3-5+OH<=>C2H5CHO+C4H71-2+H2O 2.50E+12 0.0 0.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5098. C7H14O1-2+HO2<=>PC4H9+C2H3CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5099. C7H14O1-3+HO2<=>C6H12-1+HCO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5100. C7H14O1-4+HO2<=>C5H10-1+CH2CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5101. C7H14O1-5+HO2<=>C4H8-1+CH2CH2CHO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5102. C7H14O2-3+HO2<=>C2H3COCH3+NC3H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5103. C7H14O2-4+HO2<=>CH3CO+C5H10-1+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5104. C7H14O2-5+HO2<=>CH3COCH2+C4H8-1+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible

SUPPLEMENTAL MATERIAL5105. C7H14O2-6+HO2<=>CH2CH2COCH3+C3H6+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5106. C7H14O3-4+HO2<=>C2H5COC2H3+C2H5+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5107. C7H14O3-5+HO2<=>C2H5CO+C4H8-1+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5108. C7H14O1-2+HO2<=>CH2CO+C5H11-1+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5109. C7H14O1-3+HO2<=>C2H4+NC4H9CO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5110. C7H14O1-4+HO2<=>C2H4+NC3H7COCH2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5111. C7H14O1-5+HO2<=>C2H4+C2H5COC2H4P+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5112. C7H14O2-3+HO2<=>CH3CHCO+PC4H9+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5113. C7H14O2-4+HO2<=>C3H6+NC3H7CO+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5114. C7H14O2-5+HO2<=>C3H6+C2H5COCH2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5115. C7H14O2-6+HO2<=>CH3CHO+C5H91-4+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5116. C7H14O3-4+HO2<=>C2H5CHCO+NC3H7+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5117. C7H14O3-5+HO2<=>C2H5CHO+C4H71-2+H2O2 5.00E+12 0.0 17700.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5118. C7H14OH-1<=>C7H14-1+OH 5.43E+14 -0.5 27830.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.05119. O2C7H14OH-1<=>C7H14OH-1+O2 2.98E+21 -2.0 37820.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.05120. O2C7H14OH-1<=>NC5H11CHO+CH2O+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5121. C7H14OH-2<=>C7H14-2+OH 1.04E+16 -1.0 29400.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.05122. O2C7H14OH-2<=>C7H14OH-2+O2 4.78E+21 -2.1 37860.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.05123. O2C7H14OH-1<=>NC4H9CHO+CH3CHO+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5124. C7H14OH-3<=>C7H14-3+OH 7.77E+15 -0.9 29490.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 -1042.05125. O2C7H14OH-3<=>C7H14OH-3+O2 4.78E+21 -2.1 37860.0 Reverse Arrhenius coefficients: 2.00E+12 0.0 0.05126. O2C7H14OH-3<=>NC3H7CHO+C2H5CHO+OH 2.50E+10 0.0 18860.0 REV parameters are zero... 0.000E+00 0.00 0.000E+00 this reaction will be treated as irreversible5127. NC5H11CHO+O2<=>NC5H11CO+HO2 2.00E+13 0.5 42200.0 Reverse Arrhenius coefficients: 1.00E+07 0.0 40000.05128. NC5H11CHO+OH<=>NC5H11CO+H2O 2.69E+10 0.8 -340.0 Reverse Arrhenius coefficients: 1.74E+10 0.8 31200.05129. NC5H11CHO+H<=>NC5H11CO+H2 4.00E+13 0.0 4200.0 Reverse Arrhenius coefficients: 1.80E+13 0.0 24000.05130. NC5H11CHO+O<=>NC5H11CO+OH 5.00E+12 0.0 1790.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 19000.05131. NC5H11CHO+HO2<=>NC5H11CO+H2O2 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.00E+12 0.0 10000.05132. NC5H11CHO+CH3<=>NC5H11CO+CH4 1.70E+12 0.0 8440.0 Reverse Arrhenius coefficients: 1.50E+13 0.0 28000.05133. NC5H11CHO+CH3O<=>NC5H11CO+CH3OH 1.15E+11 0.0 1280.0 Reverse Arrhenius coefficients: 3.00E+11 0.0 18000.05134. NC5H11CHO+CH3O2<=>NC5H11CO+CH3O2H 1.00E+12 0.0 9500.0 Reverse Arrhenius coefficients: 2.50E+10 0.0 10000.05135. NC5H11CHO+OH<=>C5H10CHO-1+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.07E+09 1.0 21010.05136. NC5H11CHO+OH<=>C5H10CHO-2+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 1.75E+06 1.9 23880.05137. NC5H11CHO+OH<=>C5H10CHO-3+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 1.75E+06 1.9 23880.05138. NC5H11CHO+OH<=>C5H10CHO-4+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 1.75E+06 1.9 23880.05139. NC5H11CHO+OH<=>C5H10CHO-5+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 3.32E+09 1.2 30840.05140. NC5H11CO<=>C5H11-1+CO 1.00E+11 0.0 9600.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 0.05141. NC5H11CHO+HO2<=>C5H10CHO-1+H2O2 2.76E+04 2.5 16480.0 Reverse Arrhenius coefficients: 3.33E+04 2.2 4442.05142. NC5H11CHO+HO2<=>C5H10CHO-2+H2O2 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 3.28E+03 2.5 6362.05143. NC5H11CHO+HO2<=>C5H10CHO-3+H2O2 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 3.28E+03 2.5 6362.05144. NC5H11CHO+HO2<=>C5H10CHO-4+H2O2 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 3.28E+03 2.5 6362.05145. NC5H11CHO+HO2<=>C5H10CHO-5+H2O2 2.95E+04 2.6 13910.0 Reverse Arrhenius coefficients: 1.24E+07 1.9 13320.05146. NC5H11CHO+CH3O2<=>C5H10CHO-1+CH3O2H 6.03E+12 0.0 19380.0 Reverse Arrhenius coefficients: 2.99E+13 -0.5 6617.05147. NC5H11CHO+CH3O2<=>C5H10CHO-2+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 1.82E+12 -0.3 8784.05148. NC5H11CHO+CH3O2<=>C5H10CHO-3+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 1.82E+12 -0.3 8784.05149. NC5H11CHO+CH3O2<=>C5H10CHO-4+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 1.82E+12 -0.3 8784.05150. NC5H11CHO+CH3O2<=>C5H10CHO-5+CH3O2H 3.98E+12 0.0 17050.0 Reverse Arrhenius coefficients: 6.90E+15 -0.9 15740.05151. C5H10CHO-1<=>C2H4+C3H6CHO-1 2.68E+18 -1.6 30410.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 7800.05152. C5H10CHO-2<=>C3H6+CH2CH2CHO 9.38E+17 -1.3 31970.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.05153. C5H10CHO-3<=>C4H8-1+CH2CHO 6.27E+16 -1.4 25990.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.05154. C5H10CHO-3<=>C4H7CHO1-4+CH3 2.37E+14 -0.6 31320.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.05155. C5H10CHO-4<=>AC3H5CHO+C2H5 7.19E+17 -1.4 33230.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.05156. C5H10CHO-4<=>C5H10-1+HCO 1.06E+14 -0.4 26330.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.05157. C5H10CHO-5<=>C2H3CHO+NC3H7 1.56E+19 -1.5 33310.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.05158. C4H7CHO1-4+OH<=>C4H7CO1-4+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 2.40E+12 0.0 30940.05159. C4H7CHO1-4+OH<=>C4H6CHO1-43+H2O 2.08E+06 2.0 -298.0 Reverse Arrhenius coefficients: 1.19E+08 1.7 34980.05160. C4H7CHO1-4+OH<=>C4H6CHO1-44+H2O 4.67E+07 1.6 -35.0 Reverse Arrhenius coefficients: 1.50E+09 1.3 28900.05161. C4H7CHO1-4+OH<=>CH3CHO+CH2CH2CHO 1.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 5.34E+06 1.0 19260.05162. C4H7CHO1-4+HO2<=>C4H7CO1-4+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 4.22E+12 -0.3 12010.05163. C4H7CHO1-4+HO2<=>C4H6CHO1-43+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 3.26E+06 2.0 17730.05164. C4H7CHO1-4+HO2<=>C4H6CHO1-44+H2O2 1.48E+04 2.6 13910.0 Reverse Arrhenius coefficients: 2.82E+06 2.0 11380.05165. C4H7CHO1-4+CH3O2<=>C4H7CO1-4+CH3O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 4.86E+13 -0.5 12970.05166. C4H7CHO1-4+CH3O2<=>C4H6CHO1-43+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 2.77E+15 -0.8 20150.05167. C4H7CHO1-4+CH3O2<=>C4H6CHO1-44+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 1.56E+15 -0.8 13800.05168. C4H7CO1-4<=>C4H71-4+CO 7.37E+18 -1.8 15230.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.05169. C4H6CHO1-43<=>C4H6+HCO 4.83E+15 -0.8 33540.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.05170. C4H6CHO1-44<=>C2H3CHO+C2H3 2.12E+14 -0.4 37160.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.05171. NC4H9COCH3+OH<=>C4H8COCH3-1+H2O 2.06E+07 1.7 753.0 Reverse Arrhenius coefficients: 4.28E+06 1.7 20190.05172. NC4H9COCH3+OH<=>C4H8COCH3-2+H2O 3.62E+07 1.6 -247.0 Reverse Arrhenius coefficients: 3.07E+05 2.0 21630.05173. NC4H9COCH3+OH<=>C4H8COCH3-3+H2O 3.62E+07 1.6 -247.0 Reverse Arrhenius coefficients: 3.07E+05 2.0 21630.05174. NC4H9COCH3+OH<=>C4H8COCH3-4+H2O 8.45E+11 0.0 -228.0 Reverse Arrhenius coefficients: 1.63E+13 -0.2 28640.05175. NC4H9COCH3+OH<=>NC4H9COCH2+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 6.79E+13 -0.7 27680.05176. NC4H9COCH3+HO2<=>C4H8COCH3-1+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 2.93E+04 2.2 4462.05177. NC4H9COCH3+HO2<=>C4H8COCH3-2+H2O2 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 2.82E+11 0.1 8112.05178. NC4H9COCH3+HO2<=>C4H8COCH3-3+H2O2 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 2.82E+11 0.1 8112.05179. NC4H9COCH3+HO2<=>C4H8COCH3-4+H2O2 2.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 2.29E+13 -0.6 6100.05180. NC4H9COCH3+HO2<=>NC4H9COCH2+H2O2 2.38E+04 2.5 14690.0 Reverse Arrhenius coefficients: 1.88E+07 1.5 9712.05181. NC4H9COCH3+CH3O2<=>C4H8COCH3-1+CH3O2H 3.01E+12 0.0 19380.0 Reverse Arrhenius coefficients: 1.52E+13 -0.5 6627.05182. NC4H9COCH3+CH3O2<=>C4H8COCH3-2+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 4.12E+11 -0.1 6744.05183. NC4H9COCH3+CH3O2<=>C4H8COCH3-3+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 4.12E+11 -0.1 6744.05184. NC4H9COCH3+CH3O2<=>C4H8COCH3-4+CH3O2H 2.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 9.43E+14 -0.7 11930.05185. NC4H9COCH3+CH3O2<=>NC4H9COCH2+CH3O2H 3.01E+12 0.0 17580.0 Reverse Arrhenius coefficients: 9.77E+15 -1.2 11880.05186. C4H8COCH3-1<=>CH2CH2COCH3+C2H4 1.13E+18 -1.6 30910.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.05187. C4H8COCH3-2<=>C3H6+CH3COCH2 3.18E+15 -0.8 26220.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.05188. C4H8COCH3-3<=>C4H8-1+CH3CO 1.71E+18 -1.6 28250.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9800.05189. C4H8COCH3-4<=>C2H3COCH3+C2H5 4.69E+19 -1.6 33750.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.05190. NC4H9COCH2<=>PC4H9+CH2CO 1.55E+18 -1.4 43140.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11600.05191. C4H7OOH1-4<=>C4H7O1-4+OH 2.02E+20 -1.5 47040.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.05192. C5H9OOH1-4<=>C5H9O1-4+OH 1.18E+20 -1.4 46050.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.05193. C5H9OOH1-5<=>C5H9O1-5+OH 1.59E+20 -1.5 46990.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.05194. C6H11OOH1-4<=>C6H11O1-4+OH 1.23E+20 -1.4 46050.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.05195. C6H11OOH1-5<=>C6H11O1-5+OH 1.23E+20 -1.4 46050.0 Reverse Arrhenius coefficients: 2.00E+13 0.0 0.05196. C4H7O1-4<=>CH2O+C3H5-A 2.41E+16 -1.1 7550.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 11900.05197. C5H9O1-4<=>CH3CHO+C3H5-A 7.72E+20 -2.4 5890.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 9600.05198. C5H9O1-4<=>AC3H5CHO+CH3 1.11E+17 -1.2 17960.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.05199. C5H9O1-5<=>CH2O+C4H71-4 4.31E+17 -1.3 17940.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.05200. C6H11O1-4<=>AC3H5CHO+C2H5 7.27E+20 -2.1 18870.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.05201. C6H11O1-4<=>C2H5CHO+C3H5-A 1.21E+21 -2.5 5641.0 Reverse Arrhenius coefficients: 5.00E+10 0.0 9600.05202. C6H11O1-5<=>C4H7CHO1-4+CH3 2.40E+17 -1.3 16960.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.05203. C6H11O1-5<=>CH3CHO+C4H71-4 2.00E+22 -2.6 18530.0

SUPPLEMENTAL MATERIAL Reverse Arrhenius coefficients: 1.00E+11 0.0 9600.05204. C5H91-1<=>C2H2+NC3H7 2.76E+15 -0.7 30800.0 Reverse Arrhenius coefficients: 2.00E+11 0.0 7800.05205. C4H7CHO1-1+OH<=>C4H7CO1-1+H2O 3.37E+12 0.0 -616.0 Reverse Arrhenius coefficients: 5.20E+12 0.0 36800.05206. C4H7CHO1-1+OH<=>C4H6CHO1-14+H2O 5.27E+09 1.0 1586.0 Reverse Arrhenius coefficients: 1.07E+09 1.0 21020.05207. C4H7CHO1-1+OH<=>C4H6CHO1-13+H2O 3.12E+06 2.0 -298.0 Reverse Arrhenius coefficients: 1.25E+08 1.8 34930.05208. C4H7CHO1-1+OH<=>C2H5CHO+CH2CHO 1.00E+11 0.0 0.0 Reverse Arrhenius coefficients: 1.08E+07 1.1 17020.05209. C4H7CHO1-1+HO2<=>C4H7CO1-1+H2O2 1.00E+12 0.0 11920.0 Reverse Arrhenius coefficients: 9.16E+12 -0.3 17870.05210. C4H7CHO1-1+HO2<=>C4H6CHO1-14+H2O2 2.76E+04 2.5 16480.0 Reverse Arrhenius coefficients: 3.32E+04 2.2 4452.05211. C4H7CHO1-1+HO2<=>C4H6CHO1-13+H2O2 9.64E+03 2.6 13910.0 Reverse Arrhenius coefficients: 2.30E+06 2.1 17680.05212. C4H7CHO1-1+CH3O2<=>C4H7CO1-1+CH3O2H 2.80E+12 0.0 13600.0 Reverse Arrhenius coefficients: 1.06E+14 -0.5 18830.05213. C4H7CHO1-1+CH3O2<=>C4H6CHO1-14+CH3O2H 6.03E+12 0.0 19380.0 Reverse Arrhenius coefficients: 2.98E+13 -0.5 6627.05214. C4H7CHO1-1+CH3O2<=>C4H6CHO1-13+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 1.95E+15 -0.7 20100.05215. C4H7CO1-1<=>C4H71-1+CO 8.51E+20 -2.1 40320.0 Reverse Arrhenius coefficients: 1.50E+11 0.0 4810.05216. C4H6CHO1-14<=>C2H4+CHCHCHO 9.05E+16 -1.3 46870.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 11400.05217. C4H6CHO1-13<=>C4H6+HCO 8.95E+17 -1.3 46230.0 Reverse Arrhenius coefficients: 8.00E+10 0.0 11400.05218. NC3H7COC2H5+OH<=>C3H6COC2H5-1+H2O 2.06E+07 1.7 753.0 Reverse Arrhenius coefficients: 5.17E+06 1.7 20220.05219. NC3H7COC2H5+OH<=>C3H6COC2H5-2+H2O 3.62E+07 1.6 -247.0 Reverse Arrhenius coefficients: 7.23E+05 1.9 21760.05220. NC3H7COC2H5+OH<=>C3H6COC2H5-3+H2O 8.45E+11 0.0 -228.0 Reverse Arrhenius coefficients: 3.31E+13 -0.3 28740.05221. NC3H7COC2H5+OH<=>NC3H7COC2H4P+H2O 5.10E+11 0.0 1192.0 Reverse Arrhenius coefficients: 1.28E+11 0.0 20660.05222. NC3H7COC2H5+OH<=>NC3H7COC2H4S+H2O 8.45E+11 0.0 -228.0 Reverse Arrhenius coefficients: 3.31E+13 -0.3 28740.05223. NC3H7COC2H5+HO2<=>C3H6COC2H5-1+H2O2 2.38E+04 2.5 16490.0 Reverse Arrhenius coefficients: 3.54E+04 2.2 4492.05224. NC3H7COC2H5+HO2<=>C3H6COC2H5-2+H2O2 5.60E+12 0.0 17700.0 Reverse Arrhenius coefficients: 6.65E+11 -0.1 8242.05225. NC3H7COC2H5+HO2<=>C3H6COC2H5-3+H2O2 2.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 4.65E+13 -0.7 6200.05226. NC3H7COC2H5+HO2<=>NC3H7COC2H4P+H2O2 2.38E+04 2.5 14690.0 Reverse Arrhenius coefficients: 3.54E+04 2.2 2692.05227. NC3H7COC2H5+HO2<=>NC3H7COC2H4S+H2O2 2.00E+11 0.0 8698.0 Reverse Arrhenius coefficients: 4.65E+13 -0.7 6200.05228. NC3H7COC2H5+CH3O2<=>C3H6COC2H5-1+CH3O2H 3.01E+12 0.0 19380.0 Reverse Arrhenius coefficients: 1.84E+13 -0.5 6657.05229. NC3H7COC2H5+CH3O2<=>C3H6COC2H5-2+CH3O2H 1.99E+12 0.0 17050.0 Reverse Arrhenius coefficients: 9.71E+11 -0.2 6874.05230. NC3H7COC2H5+CH3O2<=>C3H6COC2H5-3+CH3O2H 2.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 1.91E+15 -0.8 12030.05231. NC3H7COC2H5+CH3O2<=>NC3H7COC2H4P+CH3O2H 3.01E+12 0.0 17580.0 Reverse Arrhenius coefficients: 1.84E+13 -0.5 4862.05232. NC3H7COC2H5+CH3O2<=>NC3H7COC2H4S+CH3O2H 2.00E+12 0.0 15250.0 Reverse Arrhenius coefficients: 1.91E+15 -0.8 12030.05233. C3H6COC2H5-1<=>C2H4+C2H5COCH2 2.22E+15 -0.8 23590.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 7800.05234. C3H6COC2H5-2<=>C3H6+C2H5CO 4.05E+16 -1.1 26150.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 8300.05235. C3H6COC2H5-3<=>C2H5COC2H3+CH3 2.92E+15 -0.7 32300.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 7800.05236. NC3H7COC2H4P<=>NC3H7CO+C2H4 5.40E+17 -1.4 26040.0 Reverse Arrhenius coefficients: 2.50E+11 0.0 7800.05237. NC3H7COC2H4S<=>CH3CHCO+NC3H7 1.97E+19 -1.5 42860.0 Reverse Arrhenius coefficients: 1.00E+11 0.0 10600.05238. CHCHCHO+OH<=>CH2CHO+HCO 1.00E+12 0.0 0.0 Reverse Arrhenius coefficients: 2.72E+11 0.3 36200.05239. CY13PD=CY13PD5J+H 1.00E+15 0.0 78000.05240. CY13PD+O2=CY13PD5J+HO2 5.00E+12 0.0 37150.05241. CY13PD+H=CYC5H7U1 4.00E+12 0.0 0.05242. CY13PD+OH=AC3H4CH2CHO 1.00E+13 0.0 0.05243. CY13PD+CH3=CH3CY24PD+H 8.11E+00 3.2 9383.05244. CY13PD+O=C4H6+CO 1.02E+14 -0.3 4674.05245. CY13PD+H=H2+CY13PD5J 1.60E+06 2.4 4471.05246. CY13PD+O=CY13PD5J+OH 6.03E+10 0.7 7633.05247. CY13PD+OH=CY13PD5J+H2O 4.12E+06 2.0 -298.05248. CY13PD+HO2=CY13PD5J+H2O2 4.00E+12 0.0 15900.05249. CY13PD+HCO=CY13PD5J+CH2O 7.20E+06 1.9 17010.05250. CY13PD+CH3=CH4+CY13PD5J 1.80E-01 4.0 0.05251. CY13PD+C2H3=CY13PD5J+C2H4 1.20E-01 4.0 0.05252. CY13PD+C3H5-A=C3H6+CY13PD5J 6.00E+12 0.0 15000.05253. CY13PD+C3H3=CY13PD5J+C3H4-A 6.00E+12 0.0 12000.05254. CY13PD+C3H3=CY13PD5J+C3H4-P 6.00E+12 0.0 12000.05255. CY13PD+NC4H5=C4H6+CY13PD5J 3.00E+12 0.0 5000.05256. CY13PD+CYC5H5OJ=CY13PD5J+CYC5H5OH 1.00E+12 0.0 6000.05257. CY13PD+C6H5=C6H6+CY13PD5J 6.00E+12 0.0 6000.05258. CY13PD+C6H5OJ=CY13PD5J+C6H5OH 8.00E+12 0.0 10000.05259. CY13PD+H=CJCXCC#C+H2 8.04E+05 2.5 12280.05260. CJCXCC#C+HO2=OH+CO+NC4H5 8.00E+12 0.0 0.05261. CY13PD+C2H3=C6H6+CH3 2.12E+67 -16.1 42640.05262. CY13PD5J+CH3=CH3CY24PD 2.00E+13 0.0 5000.05263. CH3CY24PD=>C6H6+H2 1.00E+14 0.0 56000.05264. CY13PD+CY13PD=DICYPD 1.00E+13 0.0 31250.05265. CY13PD5J+CY13PD5J=C10H10 2.00E+12 0.0 8000.05266. CY13PD5J+CY13PD5J=BICPDJ+H 2.00E+12 0.0 8000.05267. CY13PD+CY13PD5J=IND+CH3 2.00E+12 0.0 19000.05268. CY13PD+CY13PD5J=C10H10+H 3.22E+15 -1.4 16710.05269. CY13PD+NC4H5=CR3+H 2.17E+12 0.0 5007.15270. CY13PD5J=CJCXCC#C 2.00E+13 0.0 77000.05271. CJCXCC#C=>C3H3+C2H2 1.00E+13 0.0 38000.05272. C3H3+CH3=C4H6 1.00E+14 0.0 0.05273. CY13PD5J+C2H3CHO=C2H3CO+CY13PD 1.00E+13 0.0 8843.05274. CY13PD5J+HO2=CYC5H5OJ+OH 8.00E+12 0.0 0.05275. CY13PD5J+HO2=CPDOOH 1.99E+68 -17.2 19570.05276. CY13PD5J+O2=OXCCXCCJCXO 2.11E+17 -2.2 8390.05277. HCO+CXCCXCXO=OXCCXCCJCXO 4.00E+11 0.0 4100.05278. CY13PD5J+OH=CYC5H5OH 1.24E+14 -0.6 0.05279. CY13PD5J+C2H3=CPDCXC 4.82E+13 0.0 0.05280. CH3CY24PD+OH=H2O+CH2CY24PD 1.63E+08 1.4 1451.05281. CH3CY24PD+CH3=CH4+CPDJCH3 2.50E+11 0.0 5000.05282. CH3CY24PD+CH3=CH4+CH2CY24PD 2.50E+11 0.0 6000.05283. CH3CY24PD+H=H2+CH2CY24PD 1.20E+14 0.0 8000.05284. H+FULVENE=CH2CY24PD 6.25E+11 0.5 2620.05285. CH3CY24PD+OH=H2O+CPDJCH3 1.63E+08 1.4 1451.05286. CPDJCH3=H+C6H6 1.00E+14 0.0 30000.05287. CY13PD5J+C3H6=CPDCXC+CH3 1.49E+11 -0.1 29790.05288. CY13PD5J+C3H4-P=STYR+H 1.49E+11 -0.1 29790.05289. CY13PD5J+C3H4-A=STYR+H 1.49E+11 -0.1 29790.05290. CY13PD5J+C3H3=STYR 2.00E+13 0.0 7000.05291. CYC6H7=C6H6+H 3.00E+13 0.0 28400.05292. CYC6H7+H=C4H6+C2H2 6.50E+13 0.0 0.05293. CYC6H7=LINC6H7 3.00E+13 0.0 46400.05294. LINC6H7=NC4H5+C2H2 5.50E+14 0.0 41000.05295. CY13PD5J+O=NC4H5+CO 2.00E+14 0.0 0.05296. CY13PD5J+O=CYC5H5OJ 3.20E-08 4.7 -12990.05297. BICPD+H=BICPDJ+H2 1.30E+06 2.4 4471.05298. BICPD+H=C10H9+H2 2.00E+05 2.4 4471.05299. BICPD+O2=BICPDJ+HO2 4.00E+13 0.0 37150.05300. BICPD+OH=BICPDJ+H2O 3.12E+06 2.0 -298.05301. BICPD+O=BICPDJ+OH 6.03E+10 0.7 7633.05302. BICPD+HO2=BICPDJ+H2O2 4.00E+12 0.0 15900.05303. BICPD+CH3=BICPDJ+CH4 1.80E-01 4.0 0.05304. BICPD+CY13PD5J=BICPDJ+CY13PD 7.90E+10 0.0 12400.05305. BICPDJ=NAPH+H 1.00E+14 0.0 40000.05306. BICPDJ+O2=NAPH+HO2 3.00E+11 0.0 20000.05307. CXCCXCC+H=C4H6+CH3 5.20E+71 -16.4 51060.05308. CXCCXCC+H=CXCCXCCJ+H2 7.00E+06 2.0 5000.05309. CXCCXCC+OH=CXCCXCCJ+H2O 7.00E+06 2.0 0.05310. CXCCJCXC=CXCCXCCJ 5.35E+11 -0.7 60.05311. CXCCJCXC+O2=C2H3CHO+CH2CHO 1.20E+36 -7.2 33600.05312. CXCCXCCJ+O2=C2H3CHCHO+CH2O 8.16E+10 0.2 9140.05313. CXCCXCCJ+H=CXCCXCC 2.33E+20 -1.6 3020.05314. CXCCXCCJ+H=NC4H5+CH3 2.91E+26 -2.2 36770.05315. CXCCXCCJ+OH=CXCCXCCOH 1.50E+13 0.0 0.05316. CXCCXCCJ+O=C2H3CHO+C2H3 2.00E+14 0.0 0.05317. CXCCXCCJ+HO2=C2H3CHO+C2H3+OH 8.00E+12 0.0 0.05318. CPDOOH=CYC5H5OJ+OH 2.00E+16 0.0 43000.05319. CYPDONE+H=CO+NC4H5 2.13E+61 -13.3 40810.05320. CYPDONE+H=OXCJCXCCXC 1.60E+65 -14.9 36980.05321. CYPDONE+O=CJXCCXCXO+HCO 1.00E+13 0.0 2000.05322. CYPDONE+OH=C3H4-A+HCO+CO 1.00E+13 0.0 0.05323. CYPDONE+OH=H2O+CPDJONE 5.30E+07 1.4 1451.05324. CYPDONE+O=CPDJONE+OH 1.40E+13 0.0 14700.05325. CYPDONE=C2H2+C2H2+CO 5.70E+32 -6.8 68500.05326. CPDJONE+O2=CO2+CJXCCXCXO 9.67E+58 -13.5 38180.05327. CPDJONE=>C2H2+CO+C2H 2.00E+13 0.0 51000.05328. C4H6+OH=NC4H5+H2O 3.60E+06 2.0 2500.05329. C4H6+O2<=>NC4H5+HO2 4.00E+13 0.0 58200.05330. NC4H5+C2H4=C4H6+C2H3 6.31E+11 0.0 7800.05331. NC4H5+H2=H+C4H6 3.90E+09 0.5 3704.05332. NC4H5+CH2O=C4H6+HCO 5.42E+03 2.8 5860.05333. NC4H5+H=C4H6 1.13E+45 -9.1 15830.05334. NC4H5+H=C2H3+C2H3 3.91E+46 -8.7 32250.05335. NC4H5=C2H2+C2H3 1.00E+14 0.0 38000.05336. NC4H5+O2=C2H3CHO+HCO 3.32E+24 -3.7 6190.05337. NC4H5+C2H2=C6H6+H 1.39E+16 -1.0 8900.05338. C10H10+H=NC4H5+C6H6 2.00E+14 0.0 0.05339. C2H3+C4H4=C6H6+H 1.39E+16 -1.0 8900.05340. NC4H5=C4H4+H 1.00E+14 0.0 40000.05341. C4H4+O=HCCO+C2H3 1.00E+13 0.0 0.05342. C4H4+OH=CH2CO+C2H3 3.00E+13 0.0 0.05343. C4H4+C2H2=C6H6 4.47E+11 0.0 30000.05344. CXCCXCCOH+H=C4H6+CH2OH 2.50E+34 -6.1 16250.05345. C2H3CHCHO+HO2=>HCOHCO+C2H3+OH 3.50E+12 0.0 -1000.05346. C2H3CHCHO=>C3H5-A+CO 2.93E+12 0.3 40300.05347. C2H3CHCHO+O2=C2H3CHO+OCHO 1.20E+36 -7.2 33600.05348. C2H2+HCCO=CJXCCXCXO 3.16E+11 0.0 6000.05349. CXOCCCJCXO+O2=CXOCCCXO+OCHO 6.29E+05 1.6 17480.05350. OXCCXCCXCJ=C2H2+CJXCCXO 3.00E+13 0.0 43710.05351. OXCCXCCXCJ=OXCJCXCCXC 1.25E+10 0.0 20850.05352. OXCCXCCXCJ+O2=OXCCXCCXO+HCO 5.42E+12 0.0 0.05353. OXCCXCCJCXO+O2=HCOHCO+CXOCJCXO 2.78E+08 -0.1 13940.05354. OXCCXCCJCXO+O2=OXCCXCCXO+OCHO 1.62E+09 0.0 18800.05355. OXCCXCCJCXO+H=CXOCXCCJ+HCO 2.18E+58 -12.4 33110.05356. OXCJCXCCXC=NC4H5+CO 3.47E+12 0.6 27210.05357. OXCCXCCXO+H=OXCCXCCJXO+H2 2.64E+13 0.0 3300.05358. OXCCXCCXO+O=OXCCXCCJXO+OH 1.19E+13 0.0 1868.05359. OXCCXCCXO+OH=OXCCXCCJXO+H2O 1.85E+07 1.5 -960.05360. OXCCXCCXO+CH3=OXCCXCCJXO+CH4 5.22E+06 1.8 5911.05361. OXCCXCCXO+HO2=OXCCXCCJXO+H2O2 6.02E+12 0.0 11930.05362. OXCCXCCXO+CH3O2=OXCCXCCJXO+CH3O2H 6.02E+12 0.0 11930.05363. CJXCCXO+CO=OXCCXCCJXO 1.51E+11 0.0 4810.05364. CXOCXCCJ+O2=CH2O+CXOCJCXO 7.18E+49 -11.4 39820.05365. CXOCXCCJ+O=HCO+C2H3CHO 1.00E+14 0.0 0.05366. CXCCCO2J=C3H5-A+CO2 1.00E+13 0.0 6000.05367. CXOCCCXO+H=H2+CXOCCCJXO 2.29E+10 1.1 3279.05368. CXOCCCXO+OH=H2O+CXOCCCJXO 3.49E+09 1.2 -447.05369. CXOCCCJXO+O2=C2H4+DHCO2J 1.61E+45 -9.9 20670.05370. CH2CH2CHO+CO=CXOCCCJXO 1.50E+11 0.0 4800.05371. CXCCXCXO+OH=CJXCCXCXO+H2O 2.02E+13 0.0 5933.05372. CXCCXCXO+C6H5=CJXCCXCXO+C6H6 2.02E+13 0.0 8933.05373. CXCCXCXO+O=C2H3CHO+CO 3.20E+13 -0.3 4674.05374. CXCCXCXO+H=CXCCCJXO 1.69E+07 1.0 -550.05375. CXCCXCXO+H=C3H5-A+CO 6.60E+13 0.0 2740.05376. CXCCCJXO=CO+C3H5-A 6.12E+05 0.9 -1120.05377. CXOCCXO+O=CH2CHO+OCHO 6.00E+12 0.0 0.05378. CXOCCXO+OH=>H2O+CH2CO+HCO 2.76E+04 2.6 -1919.05379. CXOCCXO+H=>H2+CH2CO+HCO 3.38E+05 2.4 207.05380. CXOCCXO+HO2=>H2O2+CH2CO+HCO 4.82E+03 2.5 10530.0

SUPPLEMENTAL MATERIAL5381. CXOCCXO+O2=>HO2+CH2CO+HCO 2.00E+13 0.0 37190.05382. CXOCJCXO+O2=HCOHCO+OCHO 4.12E+13 -0.5 21710.05383. CJXCCXO=C2H3CO 1.40E+09 1.0 32100.05384. C2H2+HCO=CJXCCXO 7.77E+06 1.4 7755.05385. CJXCCXO+O2=HCOHCO+HCO 5.42E+12 0.0 0.05386. C3H5-A+OH=C3H4-A+H2O 6.03E+12 0.0 0.05387. DHCO2J=CO2+OCHO 3.00E+13 0.0 4000.05388. HCO+HCO=HCOHCO 6.00E+12 0.0 -1000.05389. HCOHCO+O2<=>HO2+HCOCJXO 8.07E+15 0.0 53420.05390. HCOHCO+OH=H2O+HCOCJXO 3.43E+09 1.2 -447.05391. HCOHCO+O=OH+HCOCJXO 4.16E+11 0.6 2762.05392. HCOHCO+H=H2+HCOCJXO 2.29E+10 1.1 3279.05393. HCOCJXO+O2=OCHO+CO2 7.27E+25 -4.0 6890.05394. HCOCJXO=CO+HCO 4.20E+12 0.0 10800.05395. OCHO+O=OH+CO2 6.00E+12 0.0 0.05396. OCHO+OH=H2O+CO2 6.00E+12 0.0 0.05397. C3H3+C3H3=C6H5+H 3.00E+12 0.0 0.05398. C3H3+C3H3=FULVENE 1.26E+56 -12.6 23520.05399. C3H3+C3H3=C6H6 3.89E+50 -11.0 20320.05400. CYC5H8+H=CYC5H9 4.11E+47 -11.5 8490.05401. CYC5H8+H=C3H5-A+C2H4 1.28E+27 -4.1 11800.05402. CYC5H8=CYC5H7U1+H 5.00E+15 0.0 84170.05403. CYC5H7U1+H2=CYC5H8+H 1.08E+05 2.4 19000.05404. CYC5H7U1+O2=CXOCCCJCXO 8.00E+24 -3.8 20000.05405. CYC5H7U1=CXCCXCCJ 3.20E+15 0.0 39500.05406. CYC5H5OH+HO2=H2O2+CYC5H4OH 3.61E+03 2.5 10531.05407. CYC5H5OH+HO2=H2O2+CYC5H5OJ 1.00E+13 0.0 15800.05408. CYC5H5OH+OH=H2O+CYC5H4OH 5.48E+12 0.0 1731.05409. CYC5H5OH+OH=H2O+CYC5H5OJ 1.00E+13 0.0 1697.05410. CYC5H5OH+O=OH+CYC5H4OH 4.17E+11 0.0 0.05411. CYC5H5OH+O=OH+CYC5H5OJ 1.00E+13 0.0 4683.05412. CYC5H5OH+H=H2+CYC5H4OH 3.15E+12 0.0 0.05413. CYC5H5OH+H=H2+CYC5H5OJ 4.00E+13 0.0 6094.05414. CYC5H4OH=CYPDONE+H 1.00E+13 0.0 47450.05415. CYC5H5OJ=NC4H5+CO 1.07E+79 -19.6 66250.05416. CYC5H5OJ=OXCCXCCXCJ 3.00E+13 0.0 33000.05417. CYC5H5OJ=CYPDONE+H 1.00E+14 0.0 35000.05418. C6H5CH2J+IC4H7=CR1 1.00E+13 0.0 0.05419. CR1+H=CR2+H2 3.16E+12 0.0 0.05420. CR1+OH=CR2+H2O 7.00E+10 1.0 -1100.05421. CR1+O=CR2+OH 8.40E+11 0.0 -2000.05422. STYR+C3H5-T=CR2 1.00E+13 0.0 0.05423. NC4H5+C4H4=STYR+H 2.17E+12 0.0 5007.15424. CY13PD5J+C3H3=C6H5C2H2+H 2.50E+12 0.0 6200.05425. C6H5+C3H6=CR3+H 2.17E+12 0.0 5007.15426. C6H5+C3H6=STYR+CH3 2.17E+12 0.0 5007.15427. C6H5+C3H6=CR4+H 2.17E+12 0.0 5007.15428. C6H5+IC4H8=CR3+CH3 2.17E+12 0.0 5007.15429. C6H5+IC4H8=CR5+H 2.17E+12 0.0 7000.05430. CH3+C6H5C2H2=CR3 1.00E+13 0.0 0.05431. C6H5C2H+C2H3=NAPH+H 2.17E+12 0.0 5007.15432. C6H5C2H2+CY13PD=STYR+CY13PD5J 1.20E-01 4.0 0.05433. C6H5C2H2+H=STYR 1.00E+14 0.0 0.05434. C6H5CH2J+C2H3=CR4 1.00E+13 0.0 0.05435. C6H5CH2J+C3H5-T=CR5 1.00E+13 0.0 0.05436. C6H5C2H2+O2=C6H5CJO+CH2O 4.50E+16 -1.4 1000.05437. C6H5C2H2+C2H2=NAPH+H 2.17E+12 0.0 7000.05438. C6H5CH2J+C3H4-A=C6H5CH3+C3H3 2.00E+12 0.0 12000.05439. C10H10+OH=C6H5OH+NC4H5 1.00E+13 0.0 0.05440. C10H9+H=C10H10 5.00E+13 0.0 0.05441. C10H10+OH=C10H9+H2O 5.00E+06 2.0 0.05442. C10H10+H=C10H9+H2 2.00E+05 2.5 2500.05443. C10H10+O=C10H9+OH 7.00E+11 0.7 6000.05444. NAPH+H=C10H9 5.00E+14 0.0 5000.05445. C6H6=C6H5+H 5.50E+38 -6.2 132000.05446. C6H6+O2=C6H5+HO2 6.31E+13 0.0 60832.05447. C6H6+H=C6H5+H2 6.00E+13 0.0 12000.05448. C6H6+HO2=C6H5+H2O2 7.50E+03 2.5 27619.05449. C6H6+O=C6H5+OH 1.62E+07 2.0 8782.05450. C6H6+OH=C6H5+H2O 2.34E+04 2.7 730.05451. C6H6+CH3=C6H5+CH4 1.70E+00 3.7 9500.05452. C6H6+H=LINC6H7 1.22E+22 -1.9 31200.05453. C6H6+O=C6H5OJ+H 2.48E+14 -0.3 4674.05454. C6H6+O=C6H5OH 5.10E+13 -0.3 4674.05455. C6H6+H=FULVENE+H 8.43E+32 -5.0 51244.05456. C6H6+OH=C6H5OH+H 8.00E+01 3.2 5590.05457. C6H5+O2=C6H5O2 1.00E+13 0.0 0.05458. C6H5O2+C6H5=C6H5OJ+C6H5OJ 1.00E+13 0.0 0.05459. C6H5+O2=YOC6JDO 5.14E+39 -8.1 28271.05460. C6H5+O2=C6H5OJ+O 8.21E+41 -7.7 27770.05461. C6H5+O2=OC6H4O+H 3.00E+13 0.0 9000.05462. C6H5+HO2=C6H5OJ+OH 3.00E+13 0.0 0.05463. C6H5OJ+O=OC6H4O+H 2.00E+14 0.0 0.05464. C6H5O2=C6H5OJ+O 7.51E+67 -15.7 73699.05465. C6JYOO=C6H5O2 5.49E+80 -19.2 75390.05466. C6JYOO=YOC6JDO 1.51E+80 -19.2 75405.05467. CXCC(C#C)XC=FULVENE 4.90E+26 -4.1 65420.05468. CXCC(C#C)XC=C6H6 2.82E+51 -10.7 107000.05469. CXCC(C#C)XC=C6H5+H 3.09E+43 -7.9 118700.05470. FULVENE=C6H6 2.95E+31 -5.0 88470.05471. FULVENE=C6H5+H 8.51E+24 -2.5 113300.05472. FULVENE+H=FULVENYL+H2 3.03E+02 3.3 5690.05473. FULVENE+OH=FULVENYL+H2O 1.63E+08 1.4 1454.05474. FULVENYL+H=C6H5+H 1.00E+14 0.0 0.05475. FULVENYL+O2=CYPDONE+HCO 1.00E+12 0.0 0.05476. C6H5+C6H5=C12H10 2.00E+19 -2.1 2900.05477. C6H5+C6H6=C12H10+H 3.98E+11 0.0 3993.75478. C6H5OH+O2=C6H5OJ+HO2 3.00E+13 0.0 37000.05479. C6H5OH+H=C6H5OJ+H2 1.20E+14 0.0 12400.05480. C6H5OH+O=C6H5OJ+OH 1.30E+13 0.0 5000.05481. C6H5OH+OH=C6H5OJ+H2O 3.00E+06 2.0 -1310.05482. C6H5OH+HO2=C6H5OJ+H2O2 1.00E+12 0.0 8000.05483. C6H5OH+CH3=C6H5OJ+CH4 1.81E+11 0.0 9010.05484. C6H5OH+C2H3=C6H5OJ+C2H4 6.00E+12 0.0 0.05485. C6H5OH+NC4H5=C6H5OJ+C4H6 6.00E+12 0.0 0.05486. C6H5OH+C6H5=C6H5OJ+C6H6 4.90E+12 0.0 4400.05487. C6H5OH+H=C6H4OH+H2 1.90E+07 2.0 9696.05488. C6H5OH+O=C6H4OH+OH 2.00E+13 0.0 14700.05489. C6H5OH+OH=C6H4OH+H2O 2.34E+04 2.7 730.05490. C6H5OH+CH3=C6H4OH+CH4 1.70E+00 3.7 9500.05491. C6H5OH+HO2=C6H4OH+H2O2 9.20E+12 0.0 28810.05492. C6H4OH+O2=OC6H4O+OH 3.00E+29 -4.7 15600.05493. C6H5OJ+C6H5CH3=C6H5OH+C6H5CH2J 1.60E+12 0.0 15100.05494. C6H5OJ=CY13PD5J+CO 4.00E+11 0.0 43900.05495. C6H5OJ=CJCXCC#C+CO 5.00E+12 0.0 58000.05496. C6H5OJ+H=C6H5OH 1.50E+14 0.0 0.05497. C6H5OJ+HO2=RODC6JDO+OH 5.00E+12 0.0 0.05498. C6H5OJ+CH3O2=RODC6JDO+CH3O 2.00E+12 0.0 0.05499. RODC6JDO=OC6H4O+H 1.00E+14 0.0 29100.05500. OC6H4O=CYPDONE+CO 3.70E+11 0.0 59000.05501. OC6H4O+H=>CO+C2H3CO+C2H2 2.50E+13 0.0 4700.05502. OC6H4O+O=>CO+HCCO+C2H3CO 2.48E+14 -0.3 4674.0 Declared duplicate reaction...5503. OC6H4O+O=>CO+HCCO+C2H3CO 1.40E+13 0.0 14700.0 Declared duplicate reaction...5504. OC6H4O+OH=>HCO+C2H3CO+HCCO 1.00E+06 2.0 4000.05505. C6H5(+M)=C6H4+H(+M) 4.30E+12 0.6 77300.0 Low pressure limit: 0.10000E+85 -0.18870E+02 0.90100E+05 TROE centering: 0.90200E+00 0.69600E+03 0.35800E+03 0.38560E+045506. C4H2+C2H2=C6H4 1.40E+07 1.4 25410.05507. C2H+C2H2=C4H2+H 1.94E+13 0.2 -73.55508. YOC6JDO=RODC6JDO 1.00E+13 0.0 24000.05509. C6H5+OH=C6H5OH 3.00E+13 0.0 0.05510. C6H5+O=CJCXCC#C+CO 1.00E+14 0.0 0.05511. CYC6H7+O2=C6H6+HO2 7.90E+11 0.0 9900.05512. CYC6H7+H=C6H6+H2 3.30E+12 0.0 0.05513. CYC6H7+OH=C6H6+H2O 1.00E+13 0.0 0.05514. OXCCXCCXCJ+CO=RODC6JDO 1.51E+11 0.0 4810.05515. CYPDONE+HCO=RODC6JDO 4.00E+11 0.0 4100.05516. C6H5+C2H5=C6H5C2H5 1.00E+14 0.0 0.05517. C6H5CH2J+CY13PD=CY13PD5J+C6H5CH3 7.90E+10 0.0 12400.05518. C6H5CH3=C6H5+CH3 2.66E+16 0.0 97830.45519. C6H5CH3=C6H5CH2J+H 1.09E+15 0.0 87463.45520. C6H4CH3+H=C6H5CH3 1.00E+14 0.0 0.05521. C6H5CH3+H=C6H6+CH3 5.78E+13 0.0 8088.05522. C6H5OH+CH3=C6H5CH3+OH 4.00E+11 0.0 7700.05523. C6H5CH3+OH=HOC6H4CH3+H 8.00E+01 3.2 5590.05524. C6H5CH3+O2=C6H5CH2J+HO2 2.18E+07 2.5 46045.05525. C6H5CH3+H=C6H5CH2J+H2 6.47E+00 4.0 3384.05526. C6H5CH3+O=C6H5CH2J+OH 6.00E+10 0.7 7632.05527. C6H5CH3+OH=C6H5CH2J+H2O 1.77E+05 2.4 -601.85528. C6H5CH3+HO2=C6H5CH2J+H2O2 7.00E+02 3.0 12000.05529. C6H5CH3+CH3O2=C6H5CH2J+CH3O2H 1.02E+04 2.5 12339.35530. C6H5CH3+CH3=C6H5CH2J+CH4 2.21E+00 3.5 5675.05531. C6H5CH3+CH3O=C6H5CH2J+CH3OH 2.12E+10 0.0 3000.05532. C6H5CH3+C2H3=C6H5CH2J+C2H4 2.21E+00 3.5 4680.05533. C6H5CH3+HCO=C6H5CH2J+CH2O 3.77E+13 0.0 23787.45534. C6H5CH3+C6H5CH2OJ=C6H5CH2J+C6H5CH2OH 1.60E+11 0.0 11100.05535. C6H5CH3+C6H5CH2OOJ=C6H5CH2J+C6H5CH2OOH 1.02E+03 2.5 12339.35536. C6H5CH3+C6H4CH3=C6H5CH2J+C6H5CH3 7.94E+12 0.0 11949.05537. C6H5CH3+OC6H4CH3=C6H5CH2J+HOC6H4CH3 1.60E+11 0.0 15100.05538. C6H5CH3+C6H5=C6H5CH2J+C6H6 7.94E+12 0.0 11949.05539. C3H4-A+NC4H3=C6H5CH2J 1.00E+14 0.0 0.05540. C6H5CH2J+O2=C6H5CH2OOJ 1.38E+41 -9.4 9020.05541. C6H5CH2OOJ=C6H5CHO+OH 4.00E+76 -20.0 64725.05542. C6H5CH2OOJ=C6H5OJ+CH2O 1.70E+76 -20.0 64725.05543. C6H5CH2OOJ+H=C6H5CH2OOH 1.00E+14 0.0 0.05544. C6H5CH2OOJ+HO2=C6H5CH2OOH+O2 2.00E+11 0.0 0.05545. C6H5CH2OOJ+HO2=>C6H5CH2OJ+OH+O2 6.30E+10 0.0 -720.05546. C6H5CH2OOJ+CH3O2=>C6H5CH2OJ+CH3O+O2 6.30E+10 0.0 -720.05547. 2C6H5CH2OOJ=>2C6H5CH2OJ+O2 6.30E+10 0.0 -720.05548. 2C6H5CH2OOJ=>C6H5CH2OH+C6H5CHO+O2 6.30E+10 0.0 -720.05549. C6H5CH2OOH=C6H5CH2OJ+OH 1.00E+16 0.0 39000.05550. C6H5CH2J+OH=C6H5CH2OH 2.00E+13 0.0 0.05551. C6H5CH2J+O=C6H5CHO+H 1.51E+13 0.0 0.05552. C6H5CH2J+O=C6H5+CH2O 2.00E+14 0.0 0.05553. C6H5CH2J+HO2=C6H5CH2OJ+OH 5.00E+12 0.0 0.05554. C6H5CH2J+CH3O2=C6H5CH2OJ+CH3O 5.00E+12 0.0 0.05555. C6H5CH2OH+O2=HO2+C6H5CHOH 1.40E+12 0.0 34000.05556. C6H5CH2OH+O2=HO2+C6H5CH2OJ 2.00E+14 0.0 55400.05557. C6H5CH2OH+OH=C6H5OH+CH2OH 2.61E+14 -0.7 1710.05558. C6H5CH2OH+OH=C6H5CHOH+H2O 3.90E+09 1.0 -1100.05559. C6H5CH2OH+OH=C6H5CH2OJ+H2O 3.90E+09 1.0 -1100.05560. C6H5CH2OH+H=C6H6+CH2OH 5.30E+13 0.0 8100.05561. C6H5CH2OH+H=C6H5CHOH+H2 4.30E+00 4.0 3384.05562. C6H5CH2OH+O=C6H5CHOH+OH 4.20E+11 0.0 -2000.05563. C6H5CH2OH+O=C6H5OJ+CH2OH 1.70E+13 0.0 3600.05564. C6H5CH2OH+O=C6H5CH2OJ+OH 4.20E+11 0.0 -2000.05565. C6H5CH2OH+HO2=C6H5CHOH+H2O2 2.70E+11 0.0 12000.05566. C6H5CH2OH+HO2=C6H5CH2OJ+H2O2 2.70E+11 0.0 12000.05567. C6H5CH2OH=C6H5CH2OJ+H 5.00E+13 0.0 104069.05568. C6H5CH2OH=C6H5+CH2OH 5.00E+13 0.0 101225.05569. C6H5CHOH=C6H5CHO+H 5.00E+13 0.0 42000.05570. C6H5CHOH+O2=C6H5CHO+HO2 3.81E+06 2.0 1641.05571. C6H5CHOH+H=C6H5CH2OH 1.00E+14 0.0 0.05572. C6H5CHOH+OH=C6H5CHO+H2O 3.44E+09 1.2 -447.05573. C6H5CH2OJ+O2=HO2+C6H5CHO 6.60E+10 0.0 2200.05574. C6H5CH2OJ=C6H5CHO+H 1.00E+14 0.0 29100.05575. C6H5CH2OJ=C6H5+CH2O 1.46E+20 -2.0 35090.05576. C6H5CH2OJ+H=C6H5CHO+H2 4.00E+13 0.0 0.05577. C6H5CH2OJ+OH=C6H5CHO+H2O 2.00E+13 0.0 0.05578. C6H5CH2OJ+HO2=C6H5CHO+H2O2 2.00E+13 0.0 0.05579. C6H5CH2OJ+CH3=C6H5CHO+CH4 2.00E+13 0.0 0.05580. C6H5CH2OJ+C6H5CH2J=C6H5CHO+C6H5CH3 1.00E+13 0.0 0.05581. C6H5+HCO=C6H5CHO 5.00E+12 0.0 0.05582. C6H5CHO+OH=H2O+C6H5CJO 3.44E+09 1.2 -447.05583. C6H5CHO+H=H2+C6H5CJO 7.47E+00 4.0 1384.05584. C6H5CHO=C6H5CJO+H 4.00E+15 0.0 83700.05585. C6H5CHO+O=C6H5CJO+OH 6.00E+12 0.0 1800.05586. C6H5CHO+O2=C6H5CJO+HO2 7.00E+11 0.0 39500.05587. C6H5CHO+HO2=C6H5CJO+H2O2 7.00E+02 3.0 10000.05588. C6H5CHO+CH3=C6H5CJO+CH4 2.00E-06 5.6 1500.05589. C6H5CHO+C6H5=C6H5CJO+C6H6 2.00E+01 3.5 3743.0

SUPPLEMENTAL MATERIAL5590. C6H5CHO+C6H5CH2J=C6H5CJO+C6H5CH3 1.60E+12 0.0 13100.05591. C6H5CJO=C6H5+CO 1.37E+21 -2.2 39410.05592. C6H5CJO+HO2=C6H5+CO2+OH 1.00E+13 0.0 0.05593. C6H5C2H4P+H=C6H5C2H5 3.61E+13 0.0 83600.05594. C6H5C2H4S+H=C6H5C2H5 5.00E+13 0.0 83600.05595. C6H5C2H5+O2=C6H5C2H4P+HO2 2.10E+13 0.0 52800.05596. C6H5C2H5+O2=C6H5C2H4S+HO2 2.20E+12 0.0 37220.05597. C6H5C2H5+H=C6H5C2H4P+H2 6.65E+05 2.5 6756.05598. C6H5C2H5+H=C6H5C2H4S+H2 3.38E+05 2.4 207.05599. C6H5C2H5+H=C6H6+C2H5 9.50E+05 2.0 943.05600. C6H5C2H5+OH=C6H5C2H4P+H2O 5.27E+09 1.0 1590.05601. C6H5C2H5+OH=C6H5C2H4S+H2O 2.76E+04 2.6 -1919.05602. C6H5C2H5+O=C6H5C2H4P+OH 2.09E+06 2.4 4766.05603. C6H5C2H5+O=C6H5C2H4S+OH 3.50E+11 0.7 5882.05604. C6H5C2H5+CH3=C6H5C2H4P+CH4 9.04E-01 3.6 7154.05605. C6H5C2H5+CH3=C6H5C2H4S+CH4 3.69E+00 3.3 4002.05606. C6H5C2H5+HO2=C6H5C2H4P+H2O2 2.04E+01 3.6 17160.05607. C6H5C2H5+HO2=C6H5C2H4S+H2O2 3.69E+00 3.3 4002.05608. C6H5C2H5+CH3O2=C6H5C2H4P+CH3O2H 6.93E-01 4.0 18280.05609. C6H5C2H5+CH3O2=C6H5C2H4S+CH3O2H 4.82E+03 2.5 10530.05610. C6H5C2H5+C6H5CH2OOJ=C6H5C2H4P+C6H5CH2OOH 1.02E+03 2.5 19539.05611. C6H5C2H5+C6H5CH2OOJ=C6H5C2H4S+C6H5CH2OOH 6.80E+02 2.5 12339.05612. C6H5C2H5+C2H5=C6H5C2H4P+C2H6 5.00E+10 0.0 13400.05613. C6H5C2H5+C2H5=C6H5C2H4S+C2H6 6.70E+10 0.0 9800.05614. C6H5C2H4P+O2=HO2+STYR 7.56E+14 -1.0 4749.05615. C6H5C2H4S+O2=HO2+STYR 7.56E+14 -1.0 4749.05616. C6H5C2H4P+HO2=OH+CH2O+C6H5CH2J 9.00E+12 0.0 -1000.05617. C6H5C2H4S+HO2=OH+CH3CHO+C6H5 9.64E+12 0.0 0.05618. C6H5+C2H4=C6H5C2H4P 2.00E+11 0.0 7800.05619. STYR+H=C6H5C2H4S 4.24E+11 0.5 1230.05620. STYR+H=C6H5C2H4P 2.50E+11 0.5 2620.05621. C14H14=STYLBEN+H2 5.00E+12 0.0 60000.05622. STYLBEN=PHENA+H2 5.00E+12 0.0 60000.05623. C14H14+O=C6H5CH2J+C6H6+CO+H 4.96E+14 -0.3 4674.05624. C14H14=C14H13+H 2.75E+15 0.0 86000.05625. C14H14+H=C14H13+H2 6.47E+00 4.0 3384.05626. C14H14+O2=C14H13+HO2 2.80E+12 0.0 35000.05627. C14H14+O=C14H13+OH 8.40E+11 0.0 -2000.05628. C14H14+OH=C14H13+H2O 7.00E+09 1.0 -1100.05629. C14H14+HO2=C14H13+H2O2 5.40E+11 0.0 12000.05630. C14H14+CH3=C14H13+CH4 2.20E+12 0.0 9100.05631. C14H14+C6H5CH2J=C14H13+C6H5CH3 2.20E+11 0.0 9100.05632. C14H14+C6H5=C14H13+C6H6 1.06E+14 0.0 9949.05633. C14H14+C6H5OJ=C14H13+C6H5OH 5.43E+12 0.0 20923.05634. C14H13=STYLBEN+H 1.00E+13 0.0 38864.05635. STYR+C6H5=C14H13 2.00E+11 0.0 7800.05636. C14H13+O2=C14H13OO 1.38E+41 -9.4 9020.05637. C14H13OO=STYLBEN+HO2 1.04E+38 -8.1 37500.05638. C6H5CH2J=>C7H6+H 8.77E+34 -5.8 96390.05639. C6H5CH3+H=C6H4CH3+H2 1.90E+07 2.0 9696.05640. C6H5CH3+O=C6H4CH3+OH 2.00E+13 0.0 14700.05641. C6H5CH3+OH=C6H4CH3+H2O 2.34E+04 2.7 730.05642. C6H5CH3+CH3=C6H4CH3+CH4 1.70E+00 3.7 9500.05643. C6H5CH3+HO2=C6H4CH3+H2O2 9.20E+12 0.0 28810.05644. C6H4CH3+O2=>O2C6H4CH3 1.00E+13 0.0 0.05645. O2C6H4CH3=>C6H4CH3+O2 6.36E+19 -1.4 48700.05646. C6H4CH3+O2=OC6H4CH3+O 7.27E+29 -4.7 15600.05647. C6H4CH3+O2=OC6H4CH2+OH 4.35E+23 -3.4 8980.05648. C6H4CH3+O2=RODC6J(C)DO 1.02E+25 -3.5 8780.05649. O2C6H4CH3=>OC6H4CH3+O 1.64E+43 -8.8 50880.05650. O2C6H4CH3=OC6H4CH2+OH 5.35E+43 -9.5 43440.05651. O2C6H4CH3=RODC6J(C)DO 6.64E+46 -10.2 44320.05652. OC6H4CH2=C6H6+CO 6.31E+14 0.0 67160.05653. OC6H4CH3=H+C6H6+CO 7.60E+11 0.0 43800.05654. OC6H4CH3+HO2=OC6H4O+CH3+OH 7.60E+11 0.0 43800.05655. C6H4CH3+H=C6H5CH2J+H 1.00E+13 0.0 0.05656. C6H4CH3+O=OC6H4CH3 1.00E+14 0.0 0.05657. C6H4CH3+OH=HOC6H4CH3 3.00E+13 0.0 0.05658. C6H4CH3+HO2=OC6H4CH3+OH 5.00E+12 0.0 0.05659. OC6H4CH3+H=HOC6H4CH3 2.50E+14 0.0 0.05660. HOC6H4CH3+O2=OC6H4CH3+HO2 1.00E+13 0.0 38900.05661. HOC6H4CH3+O2=HOC6H4CH2+HO2 2.10E+12 0.0 39700.05662. HOC6H4CH3+H=C6H5OH+CH3 5.80E+13 0.0 8100.05663. HOC6H4CH3+H=OC6H4CH3+H2 1.20E+14 0.0 12400.05664. HOC6H4CH3+O=OC6H4CH3+OH 1.30E+13 0.0 2900.05665. HOC6H4CH3+OH=OC6H4CH3+H2O 1.40E+08 1.4 -960.05666. HOC6H4CH3+HO2=OC6H4CH3+H2O2 1.00E+12 0.0 10000.05667. HOC6H4CH3+CH3=OC6H4CH3+CH4 1.80E+11 0.0 7700.05668. HOC6H4CH3+C6H5=OC6H4CH3+C6H6 4.90E+12 0.0 4400.05669. HOC6H4CH3+CY13PD5J=OC6H4CH3+CY13PD 4.90E+11 0.0 9400.05670. HOC6H4CH3+C6H5OJ=OC6H4CH3+C6H5OH 4.90E+11 0.0 9400.05671. HOC6H4CH3+H=HOC6H4CH2+H2 1.20E+14 0.0 8400.05672. HOC6H4CH3+O=HOC6H4CH2+OH 6.30E+11 0.0 0.05673. HOC6H4CH3+OH=HOC6H4CH2+H2O 5.20E+09 1.0 870.05674. HOC6H4CH3+HO2=HOC6H4CH2+H2O2 4.00E+11 0.0 14000.05675. HOC6H4CH3+CH3=HOC6H4CH2+CH4 1.60E+12 0.0 11100.05676. HOC6H4CH3+C3H3=HOC6H4CH2+C3H4-P 1.60E+12 0.0 15100.05677. HOC6H4CH3+CY13PD5J=HOC6H4CH2+CY13PD 1.60E+11 0.0 15100.05678. HOC6H4CH3+C6H5=HOC6H4CH2+C6H6 7.90E+13 0.0 12000.05679. HOC6H4CH3+C6H5OJ=HOC6H4CH2+C6H5OH 1.60E+11 0.0 15100.05680. HOC6H4CH3+C6H4CH3=HOC6H4CH2+C6H5CH3 7.90E+13 0.0 12000.05681. HOC6H4CH3+OC6H4CH3=HOC6H4CH2+HOC6H4CH3 1.60E+11 0.0 15100.05682. HOC6H4CH3+C6H5CH2OOJ=HOC6H4CH2+C6H5CH2OOH 4.00E+11 0.0 14000.05683. HOC6H4CH3+C6H5CH2OJ=HOC6H4CH2+C6H5CH2OH 1.60E+11 0.0 11100.05684. HOC6H4CH2+O2=HOC6H4CH2OO 4.60E+11 0.0 -380.05685. HOC6H4CH2+O2=HOC6H4CH2O+O 6.30E+12 0.0 40000.05686. HOC6H4CH2+H=HOC6H4CH3 1.00E+14 0.0 0.05687. HOC6H4CH2+HO2=HOC6H4CH2OOH 5.00E+12 0.0 0.05688. HOC6H4CH2+CH3=C6H5OH+C2H4 5.00E+12 0.0 0.05689. HOC6H4CH2OO=HOC6H4CHO+OH 3.40E+09 1.0 37500.05690. HOC6H4CH2O=H+HOC6H4CHO 2.00E+13 0.0 27500.05691. HOC6H4CH2O=C6H4OH+CH2O 2.00E+13 0.0 27500.05692. HOC6H4CH2O+O2=HO2+HOC6H4CHO 6.00E+10 0.0 1600.05693. HOC6H4CHO+H=HOC6H4CO+H2 4.00E+13 0.0 3200.05694. HOC6H4CHO+O=HOC6H4CO+OH 6.00E+12 0.0 1800.05695. HOC6H4CHO+OH=HOC6H4CO+H2O 7.80E+12 0.0 0.05696. HOC6H4CHO+HO2=HOC6H4CO+H2O2 3.00E+12 0.0 11000.05697. HOC6H4CHO+CH3=HOC6H4CO+CH4 2.00E-06 5.6 1500.05698. HOC6H4CO=C6H5OJ+CO 4.00E+14 0.0 29500.05699. C6H5CH3+O=OC6H4CH3+H 2.48E+14 -0.3 4674.05700. C6H5CH2J+CH3=C6H5C2H5 1.20E+13 0.0 200.05701. C6H4CH3+CH3=XYLENE 1.20E+06 2.0 -3700.05702. C6H5CH2J+C6H5CH2J=C14H14 1.00E+13 0.0 454.05703. C2H+CY13PD5J=C7H6 1.00E+13 0.0 0.05704. NC4H3+C3H3=C7H6 1.00E+13 0.0 0.05705. C14H13+HO2=C6H5CH2J+C6H5CHO+OH 1.92E+13 0.0 0.05706. STYR+O2=HO2+C6H5C2H2 2.00E+13 0.0 57900.05707. STYR+O=C6H5+CH2CHO 3.00E+08 1.4 900.05708. STYR+OH=C6H5CH2J+CH2O 1.40E+12 0.0 0.05709. STYR+OH=C6H5CHO+CH3 2.80E+12 0.0 0.05710. STYR+H=C6H5C2H2+H2 6.60E+05 2.5 9200.05711. STYR+OH=C6H5C2H2+H2O 1.50E+06 2.0 400.05712. C6H5+C2H2=C6H5C2H2 2.70E+06 2.0 3720.05713. C6H6+C2H3=STYR+H 5.00E+12 0.0 7000.05714. STYLBEN+O2=HO2+PHCCHPH 4.00E+13 0.0 58200.05715. STYLBEN+H=PHCCHPH+H2 8.42E-03 4.6 2583.05716. STYLBEN+OH=PHCCHPH+H2O 2.02E+13 0.0 5955.05717. STYLBEN+O=C6H5CJO+C6H5CH2J 7.95E+03 1.7 657.45718. PHCCHPH=PHENA+H 3.00E+13 0.0 28890.05719. PHCCHPH+O2=C6H5CJO+C6H5CHO 1.70E+29 -5.3 6500.05720. OCCXCCXCJC+CO=RODC6J(C)DO 1.51E+11 0.0 4810.05721. OCCXCCXCJC=>C2H2+HCO+C3H4-P 3.00E+13 0.0 43710.05722. OCCXCCXCJC=>C2H2+CO+C3H5-S 1.37E+21 -2.2 39410.05723. OCCXCCXCJC+O2=OXCCXCCXO+CH3CO 5.42E+12 0.0 0.05724. C6H5CH3+C6H111-3=C6H5CH2J+C6H12-1 1.00E+13 0.0 12000.05725. C6H5CH3+C6H111-4=C6H5CH2J+C6H12-1 5.00E+12 0.0 10800.05726. C6H5CH3+C6H111-5=C6H5CH2J+C6H12-1 5.00E+12 0.0 10800.05727. C6H5CH3+C6H111-6=C6H5CH2J+C6H12-1 5.00E+12 0.0 9800.05728. C6H5CHO+C6H111-3=C6H5CJO+C6H12-1 1.60E+12 0.0 11500.05729. C6H5CHO+C6H111-4=C6H5CJO+C6H12-1 1.60E+12 0.0 7500.05730. C6H5CHO+C6H111-5=C6H5CJO+C6H12-1 1.60E+12 0.0 7500.05731. C6H5CHO+C6H111-6=C6H5CJO+C6H12-1 1.60E+12 0.0 6500.05732. IC8H18+C7H15-1=NC7H16+AC8H17 1.50E+11 0.0 13400.05733. IC8H18+C7H15-1=NC7H16+BC8H17 5.00E+10 0.0 10400.05734. IC8H18+C7H15-1=NC7H16+CC8H17 1.00E+11 0.0 7900.05735. IC8H18+C7H15-1=NC7H16+DC8H17 1.00E+11 0.0 13400.05736. IC8H18+C7H15-2=NC7H16+AC8H17 1.50E+11 0.0 14400.05737. IC8H18+C7H15-2=NC7H16+BC8H17 5.00E+10 0.0 11400.05738. IC8H18+C7H15-2=NC7H16+CC8H17 1.00E+11 0.0 8900.05739. IC8H18+C7H15-2=NC7H16+DC8H17 1.00E+11 0.0 14400.05740. IC8H18+C7H15-3=NC7H16+AC8H17 1.50E+11 0.0 14400.05741. IC8H18+C7H15-3=NC7H16+BC8H17 5.00E+10 0.0 11400.05742. IC8H18+C7H15-3=NC7H16+CC8H17 1.00E+11 0.0 8900.05743. IC8H18+C7H15-3=NC7H16+DC8H17 1.00E+11 0.0 14400.05744. IC8H18+C7H15-4=NC7H16+AC8H17 1.50E+11 0.0 14400.05745. IC8H18+C7H15-4=NC7H16+BC8H17 5.00E+10 0.0 11400.05746. IC8H18+C7H15-4=NC7H16+CC8H17 1.00E+11 0.0 8900.05747. IC8H18+C7H15-4=NC7H16+DC8H17 1.00E+11 0.0 14400.05748. IC8H18+XC7H15=C7H16-24+AC8H17 1.50E+11 0.0 13400.05749. IC8H18+XC7H15=C7H16-24+BC8H17 5.00E+10 0.0 10400.05750. IC8H18+XC7H15=C7H16-24+CC8H17 1.00E+11 0.0 7900.05751. IC8H18+XC7H15=C7H16-24+DC8H17 1.00E+11 0.0 13400.05752. IC8H18+YC7H15=C7H16-24+AC8H17 1.50E+11 0.0 14400.05753. IC8H18+YC7H15=C7H16-24+BC8H17 5.00E+10 0.0 11400.05754. IC8H18+YC7H15=C7H16-24+CC8H17 1.00E+11 0.0 8900.05755. IC8H18+YC7H15=C7H16-24+DC8H17 1.00E+11 0.0 14400.05756. IC8H18+ZC7H15=C7H16-24+AC8H17 1.50E+11 0.0 14400.05757. IC8H18+ZC7H15=C7H16-24+BC8H17 5.00E+10 0.0 11400.05758. IC8H18+ZC7H15=C7H16-24+CC8H17 1.00E+11 0.0 8900.05759. IC8H18+ZC7H15=C7H16-24+DC8H17 1.00E+11 0.0 14400.05760. IC8H18+NC7H15=NEOC7H16+AC8H17 1.50E+11 0.0 13400.05761. IC8H18+NC7H15=NEOC7H16+BC8H17 5.00E+10 0.0 10400.05762. IC8H18+NC7H15=NEOC7H16+CC8H17 1.00E+11 0.0 7900.05763. IC8H18+NC7H15=NEOC7H16+DC8H17 1.00E+11 0.0 13400.05764. IC8H18+OC7H15=NEOC7H16+AC8H17 1.50E+11 0.0 14400.05765. IC8H18+OC7H15=NEOC7H16+BC8H17 5.00E+10 0.0 11400.05766. IC8H18+OC7H15=NEOC7H16+CC8H17 1.00E+11 0.0 8900.05767. IC8H18+OC7H15=NEOC7H16+DC8H17 1.00E+11 0.0 14400.05768. IC8H18+PC7H15=NEOC7H16+AC8H17 1.50E+11 0.0 14400.05769. IC8H18+PC7H15=NEOC7H16+BC8H17 5.00E+10 0.0 11400.05770. IC8H18+PC7H15=NEOC7H16+CC8H17 1.00E+11 0.0 8900.05771. IC8H18+PC7H15=NEOC7H16+DC8H17 1.00E+11 0.0 14400.05772. IC8H18+QC7H15=NEOC7H16+AC8H17 1.50E+11 0.0 14400.05773. IC8H18+QC7H15=NEOC7H16+BC8H17 5.00E+10 0.0 11400.05774. IC8H18+QC7H15=NEOC7H16+CC8H17 1.00E+11 0.0 8900.05775. IC8H18+QC7H15=NEOC7H16+DC8H17 1.00E+11 0.0 14400.05776. AC8H17O2+NC7H16=AC8H17O2H+C7H15-1 1.21E+13 0.0 20430.05777. AC8H17O2+NC7H16=AC8H17O2H+C7H15-2 8.06E+12 0.0 17700.05778. AC8H17O2+NC7H16=AC8H17O2H+C7H15-3 8.06E+12 0.0 17700.05779. AC8H17O2+NC7H16=AC8H17O2H+C7H15-4 4.03E+12 0.0 17700.05780. BC8H17O2+NC7H16=BC8H17O2H+C7H15-1 1.21E+13 0.0 20430.05781. BC8H17O2+NC7H16=BC8H17O2H+C7H15-2 8.06E+12 0.0 17700.05782. BC8H17O2+NC7H16=BC8H17O2H+C7H15-3 8.06E+12 0.0 17700.05783. BC8H17O2+NC7H16=BC8H17O2H+C7H15-4 4.03E+12 0.0 17700.05784. CC8H17O2+NC7H16=CC8H17O2H+C7H15-1 1.21E+13 0.0 20430.05785. CC8H17O2+NC7H16=CC8H17O2H+C7H15-2 8.06E+12 0.0 17700.05786. CC8H17O2+NC7H16=CC8H17O2H+C7H15-3 8.06E+12 0.0 17700.05787. CC8H17O2+NC7H16=CC8H17O2H+C7H15-4 4.03E+12 0.0 17700.05788. DC8H17O2+NC7H16=DC8H17O2H+C7H15-1 1.21E+13 0.0 20430.05789. DC8H17O2+NC7H16=DC8H17O2H+C7H15-2 8.06E+12 0.0 17700.05790. DC8H17O2+NC7H16=DC8H17O2H+C7H15-3 8.06E+12 0.0 17700.05791. DC8H17O2+NC7H16=DC8H17O2H+C7H15-4 4.03E+12 0.0 17700.05792. C7H15O2-1+IC8H18=AC8H17+C7H15O2H-1 2.52E+13 0.0 20440.05793. C7H15O2-2+IC8H18=AC8H17+C7H15O2H-2 2.52E+13 0.0 20440.05794. C7H15O2-3+IC8H18=AC8H17+C7H15O2H-3 2.52E+13 0.0 20440.05795. C7H15O2-4+IC8H18=AC8H17+C7H15O2H-4 2.52E+13 0.0 20440.05796. C7H15O2-1+IC8H18=BC8H17+C7H15O2H-1 5.60E+12 0.0 17690.05797. C7H15O2-2+IC8H18=BC8H17+C7H15O2H-2 5.60E+12 0.0 17690.05798. C7H15O2-3+IC8H18=BC8H17+C7H15O2H-3 5.60E+12 0.0 17690.05799. C7H15O2-4+IC8H18=BC8H17+C7H15O2H-4 5.60E+12 0.0 17690.05800. C7H15O2-1+IC8H18=CC8H17+C7H15O2H-1 2.80E+12 0.0 16100.05801. C7H15O2-2+IC8H18=CC8H17+C7H15O2H-2 2.80E+12 0.0 16100.05802. C7H15O2-3+IC8H18=CC8H17+C7H15O2H-3 2.80E+12 0.0 16100.0

SUPPLEMENTAL MATERIAL5803. C7H15O2-4+IC8H18=CC8H17+C7H15O2H-4 2.80E+12 0.0 16100.05804. C7H15O2-1+IC8H18=DC8H17+C7H15O2H-1 1.68E+13 0.0 20440.05805. C7H15O2-2+IC8H18=DC8H17+C7H15O2H-2 1.68E+13 0.0 20440.05806. C7H15O2-3+IC8H18=DC8H17+C7H15O2H-3 1.68E+13 0.0 20440.05807. C7H15O2-4+IC8H18=DC8H17+C7H15O2H-4 1.68E+13 0.0 20440.05808. IC8H18+XC7H15O2=AC8H17+XC7H15O2H 2.52E+13 0.0 20440.05809. IC8H18+YC7H15O2=AC8H17+YC7H15O2H 2.52E+13 0.0 20440.05810. IC8H18+ZC7H15O2=AC8H17+ZC7H15O2H 2.52E+13 0.0 20440.05811. IC8H18+XC7H15O2=BC8H17+XC7H15O2H 5.60E+12 0.0 17690.05812. IC8H18+YC7H15O2=BC8H17+YC7H15O2H 5.60E+12 0.0 17690.05813. IC8H18+ZC7H15O2=BC8H17+ZC7H15O2H 5.60E+12 0.0 17690.05814. IC8H18+XC7H15O2=CC8H17+XC7H15O2H 2.80E+12 0.0 16100.05815. IC8H18+YC7H15O2=CC8H17+YC7H15O2H 2.80E+12 0.0 16100.05816. IC8H18+ZC7H15O2=CC8H17+ZC7H15O2H 2.80E+12 0.0 16100.05817. IC8H18+XC7H15O2=DC8H17+XC7H15O2H 1.68E+13 0.0 20440.05818. IC8H18+YC7H15O2=DC8H17+YC7H15O2H 1.68E+13 0.0 20440.05819. IC8H18+ZC7H15O2=DC8H17+ZC7H15O2H 1.68E+13 0.0 20440.05820. IC8H18+NC7H15O2=NC7H15O2H+AC8H17 2.52E+13 0.0 20440.05821. IC8H18+OC7H15O2=OC7H15O2H+AC8H17 2.52E+13 0.0 20440.05822. IC8H18+PC7H15O2=PC7H15O2H+AC8H17 2.52E+13 0.0 20440.05823. IC8H18+QC7H15O2=QC7H15O2H+AC8H17 2.52E+13 0.0 20440.05824. IC8H18+NC7H15O2=NC7H15O2H+BC8H17 5.60E+12 0.0 17690.05825. IC8H18+OC7H15O2=OC7H15O2H+BC8H17 5.60E+12 0.0 17690.05826. IC8H18+PC7H15O2=PC7H15O2H+BC8H17 5.60E+12 0.0 17690.05827. IC8H18+QC7H15O2=QC7H15O2H+BC8H17 5.60E+12 0.0 17690.05828. IC8H18+NC7H15O2=NC7H15O2H+CC8H17 2.80E+12 0.0 16100.05829. IC8H18+OC7H15O2=OC7H15O2H+CC8H17 2.80E+12 0.0 16100.05830. IC8H18+PC7H15O2=PC7H15O2H+CC8H17 2.80E+12 0.0 16100.05831. IC8H18+QC7H15O2=QC7H15O2H+CC8H17 2.80E+12 0.0 16100.05832. IC8H18+NC7H15O2=NC7H15O2H+DC8H17 1.68E+13 0.0 20440.05833. IC8H18+OC7H15O2=OC7H15O2H+DC8H17 1.68E+13 0.0 20440.05834. IC8H18+PC7H15O2=PC7H15O2H+DC8H17 1.68E+13 0.0 20440.05835. IC8H18+QC7H15O2=QC7H15O2H+DC8H17 1.68E+13 0.0 20440.05836. AC8H17O2+C7H16-24=AC8H17O2H+XC7H15 6.30E+13 0.0 17500.05837. AC8H17O2+C7H16-24=AC8H17O2H+YC7H15 6.30E+13 0.0 15500.05838. AC8H17O2+C7H16-24=AC8H17O2H+ZC7H15 6.30E+13 0.0 16500.05839. BC8H17O2+C7H16-24=BC8H17O2H+XC7H15 6.30E+13 0.0 17500.05840. BC8H17O2+C7H16-24=BC8H17O2H+YC7H15 6.30E+13 0.0 15500.05841. BC8H17O2+C7H16-24=BC8H17O2H+ZC7H15 6.30E+13 0.0 16500.05842. CC8H17O2+C7H16-24=CC8H17O2H+XC7H15 6.30E+13 0.0 17500.05843. CC8H17O2+C7H16-24=CC8H17O2H+YC7H15 6.30E+13 0.0 15500.05844. CC8H17O2+C7H16-24=CC8H17O2H+ZC7H15 6.30E+13 0.0 16500.05845. DC8H17O2+C7H16-24=DC8H17O2H+XC7H15 6.30E+13 0.0 17500.05846. DC8H17O2+C7H16-24=DC8H17O2H+YC7H15 6.30E+13 0.0 15500.05847. DC8H17O2+C7H16-24=DC8H17O2H+ZC7H15 6.30E+13 0.0 16500.05848. NEOC7H16+AC8H17O2=NC7H15+AC8H17O2H 1.17E+14 0.0 17500.05849. NEOC7H16+BC8H17O2=NC7H15+BC8H17O2H 1.17E+14 0.0 17500.05850. NEOC7H16+CC8H17O2=NC7H15+CC8H17O2H 1.17E+14 0.0 17500.05851. NEOC7H16+DC8H17O2=NC7H15+DC8H17O2H 1.17E+14 0.0 17500.05852. NEOC7H16+AC8H17O2=OC7H15+AC8H17O2H 2.60E+13 0.0 15500.05853. NEOC7H16+BC8H17O2=OC7H15+BC8H17O2H 2.60E+13 0.0 15500.05854. NEOC7H16+CC8H17O2=OC7H15+CC8H17O2H 2.60E+13 0.0 15500.05855. NEOC7H16+DC8H17O2=OC7H15+DC8H17O2H 2.60E+13 0.0 15500.05856. NEOC7H16+AC8H17O2=PC7H15+AC8H17O2H 2.60E+13 0.0 15500.05857. NEOC7H16+BC8H17O2=PC7H15+BC8H17O2H 2.60E+13 0.0 15500.05858. NEOC7H16+CC8H17O2=PC7H15+CC8H17O2H 2.60E+13 0.0 15500.05859. NEOC7H16+DC8H17O2=PC7H15+DC8H17O2H 2.60E+13 0.0 15500.05860. NEOC7H16+AC8H17O2=QC7H15+AC8H17O2H 3.90E+13 0.0 17500.05861. NEOC7H16+BC8H17O2=QC7H15+BC8H17O2H 3.90E+13 0.0 17500.05862. NEOC7H16+CC8H17O2=QC7H15+CC8H17O2H 3.90E+13 0.0 17500.05863. NEOC7H16+DC8H17O2=QC7H15+DC8H17O2H 3.90E+13 0.0 17500.05864. C7H15-1+C6H12-1=NC7H16+C6H111-3 7.00E+10 0.0 7900.05865. C7H15-1+C6H12-1=NC7H16+C6H111-4 5.00E+10 0.0 10400.05866. C7H15-1+C6H12-1=NC7H16+C6H111-5 5.00E+10 0.0 10400.05867. C7H15-1+C6H12-1=NC7H16+C6H111-6 5.00E+10 0.0 13400.05868. C7H15-2+C6H12-1=NC7H16+C6H111-3 7.00E+10 0.0 8900.05869. C7H15-2+C6H12-1=NC7H16+C6H111-4 5.00E+10 0.0 11400.05870. C7H15-2+C6H12-1=NC7H16+C6H111-5 5.00E+10 0.0 11400.05871. C7H15-2+C6H12-1=NC7H16+C6H111-6 5.00E+10 0.0 14400.05872. C7H15-3+C6H12-1=NC7H16+C6H111-3 7.00E+10 0.0 8900.05873. C7H15-3+C6H12-1=NC7H16+C6H111-4 5.00E+10 0.0 11400.05874. C7H15-3+C6H12-1=NC7H16+C6H111-5 5.00E+10 0.0 11400.05875. C7H15-3+C6H12-1=NC7H16+C6H111-6 5.00E+10 0.0 14400.05876. C7H15-4+C6H12-1=NC7H16+C6H111-3 7.00E+10 0.0 8900.05877. C7H15-4+C6H12-1=NC7H16+C6H111-4 5.00E+10 0.0 11400.05878. C7H15-4+C6H12-1=NC7H16+C6H111-5 5.00E+10 0.0 11400.05879. C7H15-4+C6H12-1=NC7H16+C6H111-6 5.00E+10 0.0 14400.05880. AC8H17+C6H12-1=IC8H18+C6H111-3 7.00E+10 0.0 7900.05881. AC8H17+C6H12-1=IC8H18+C6H111-4 5.00E+10 0.0 10400.05882. AC8H17+C6H12-1=IC8H18+C6H111-5 5.00E+10 0.0 10400.05883. AC8H17+C6H12-1=IC8H18+C6H111-6 5.00E+10 0.0 13400.05884. BC8H17+C6H12-1=IC8H18+C6H111-3 7.00E+10 0.0 8900.05885. BC8H17+C6H12-1=IC8H18+C6H111-4 5.00E+10 0.0 11400.05886. BC8H17+C6H12-1=IC8H18+C6H111-5 5.00E+10 0.0 11400.05887. BC8H17+C6H12-1=IC8H18+C6H111-6 5.00E+10 0.0 14400.05888. CC8H17+C6H12-1=IC8H18+C6H111-3 7.00E+10 0.0 11900.05889. CC8H17+C6H12-1=IC8H18+C6H111-4 5.00E+10 0.0 14400.05890. CC8H17+C6H12-1=IC8H18+C6H111-5 5.00E+10 0.0 14400.05891. CC8H17+C6H12-1=IC8H18+C6H111-6 5.00E+10 0.0 17400.05892. DC8H17+C6H12-1=IC8H18+C6H111-3 7.00E+10 0.0 7900.05893. DC8H17+C6H12-1=IC8H18+C6H111-4 5.00E+10 0.0 10400.05894. DC8H17+C6H12-1=IC8H18+C6H111-5 5.00E+10 0.0 10400.05895. DC8H17+C6H12-1=IC8H18+C6H111-6 5.00E+10 0.0 13400.05896. AC8H17O2+C6H12-1=AC8H17O2H+C6H111-6 6.05E+12 0.0 20430.05897. AC8H17O2+C6H12-1=AC8H17O2H+C6H111-4 4.03E+12 0.0 17700.05898. AC8H17O2+C6H12-1=AC8H17O2H+C6H111-5 4.03E+12 0.0 17700.05899. AC8H17O2+C6H12-1=AC8H17O2H+C6H111-3 2.01E+12 0.0 13700.05900. BC8H17O2+C6H12-1=BC8H17O2H+C6H111-6 6.05E+12 0.0 20430.05901. BC8H17O2+C6H12-1=BC8H17O2H+C6H111-4 4.03E+12 0.0 17700.05902. BC8H17O2+C6H12-1=BC8H17O2H+C6H111-5 4.03E+12 0.0 17700.05903. BC8H17O2+C6H12-1=BC8H17O2H+C6H111-3 2.01E+12 0.0 13700.05904. CC8H17O2+C6H12-1=CC8H17O2H+C6H111-6 6.05E+12 0.0 20430.05905. CC8H17O2+C6H12-1=CC8H17O2H+C6H111-4 4.03E+12 0.0 17700.05906. CC8H17O2+C6H12-1=CC8H17O2H+C6H111-5 4.03E+12 0.0 17700.05907. CC8H17O2+C6H12-1=CC8H17O2H+C6H111-3 2.01E+12 0.0 13700.05908. DC8H17O2+C6H12-1=DC8H17O2H+C6H111-6 6.05E+12 0.0 20430.05909. DC8H17O2+C6H12-1=DC8H17O2H+C6H111-4 4.03E+12 0.0 17700.05910. DC8H17O2+C6H12-1=DC8H17O2H+C6H111-5 4.03E+12 0.0 17700.05911. DC8H17O2+C6H12-1=DC8H17O2H+C6H111-3 2.01E+12 0.0 13700.05912. C7H15O2-1+C6H12-1=C6H111-6+C7H15O2H-1 6.05E+12 0.0 20430.05913. C7H15O2-1+C6H12-1=C6H111-4+C7H15O2H-2 4.03E+12 0.0 17700.05914. C7H15O2-1+C6H12-1=C6H111-5+C7H15O2H-3 4.03E+12 0.0 17700.05915. C7H15O2-1+C6H12-1=C6H111-3+C7H15O2H-4 2.01E+12 0.0 13700.05916. C7H15O2-2+C6H12-1=C6H111-6+C7H15O2H-1 6.05E+12 0.0 20430.05917. C7H15O2-2+C6H12-1=C6H111-4+C7H15O2H-2 4.03E+12 0.0 17700.05918. C7H15O2-2+C6H12-1=C6H111-5+C7H15O2H-3 4.03E+12 0.0 17700.05919. C7H15O2-2+C6H12-1=C6H111-3+C7H15O2H-4 2.01E+12 0.0 13700.05920. C7H15O2-3+C6H12-1=C6H111-6+C7H15O2H-1 6.05E+12 0.0 20430.05921. C7H15O2-3+C6H12-1=C6H111-4+C7H15O2H-2 4.03E+12 0.0 17700.05922. C7H15O2-3+C6H12-1=C6H111-5+C7H15O2H-3 4.03E+12 0.0 17700.05923. C7H15O2-3+C6H12-1=C6H111-3+C7H15O2H-4 2.01E+12 0.0 13700.05924. C7H15O2-4+C6H12-1=C6H111-6+C7H15O2H-1 6.05E+12 0.0 20430.05925. C7H15O2-4+C6H12-1=C6H111-4+C7H15O2H-2 4.03E+12 0.0 17700.05926. C7H15O2-4+C6H12-1=C6H111-5+C7H15O2H-3 4.03E+12 0.0 17700.05927. C7H15O2-4+C6H12-1=C6H111-3+C7H15O2H-4 2.01E+12 0.0 13700.05928. C7H15-1+C6H5CH3=NC7H16+C6H5CH2J 7.00E+12 0.0 7900.05929. C7H15-2+C6H5CH3=NC7H16+C6H5CH2J 7.00E+12 0.0 8900.05930. C7H15-3+C6H5CH3=NC7H16+C6H5CH2J 7.00E+12 0.0 8900.05931. C7H15-4+C6H5CH3=NC7H16+C6H5CH2J 7.00E+12 0.0 8900.05932. AC8H17+C6H5CH3=IC8H18+C6H5CH2J 7.00E+12 0.0 7900.05933. BC8H17+C6H5CH3=IC8H18+C6H5CH2J 7.00E+12 0.0 8900.05934. CC8H17+C6H5CH3=IC8H18+C6H5CH2J 7.00E+12 0.0 11900.05935. DC8H17+C6H5CH3=IC8H18+C6H5CH2J 7.00E+12 0.0 7900.0

UNITS for the preceding reactions (unless otherwise noted): A units mole-cm-sec-K, E units cal/mole

THERMAL PROPERTIES

H 120186H 1 G 0300.00 5000.00 1000.00 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.02547163E+06-0.04601176E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.02547163E+06-0.04601176E+01 H2 121286H 2 G 0300.00 5000.00 1000.00 0.02991423E+02 0.07000644E-02-0.05633829E-06-0.09231578E-10 0.01582752E-13 -0.08350340E+04-0.01355110E+02 0.03298124E+02 0.08249442E-02-0.08143015E-05 -0.09475434E-09 0.04134872E-11-0.01012521E+05-0.03294094E+02 O 120186O 1 G 0300.00 5000.00 1000.00 0.02542060E+02-0.02755062E-03-0.03102803E-07 0.04551067E-10-0.04368052E-14 0.02923080E+06 0.04920308E+02 0.02946429E+02-0.01638166E-01 0.02421032E-04 -0.01602843E-07 0.03890696E-11 0.02914764E+06 0.02963995E+02 O2 121386O 2 G 0300.00 5000.00 1000.00 0.03697578E+02 0.06135197E-02-0.01258842E-05 0.01775281E-09-0.01136435E-13 -0.01233930E+05 0.03189166E+02 0.03212936E+02 0.01127486E-01-0.05756150E-05 0.01313877E-07-0.08768554E-11-0.01005249E+05 0.06034738E+02 OH 7/13/ 0 RUCICH 1O 1 0 0G 300.000 5000.000 1710.000 2.85376040E+00 1.02994334E-03-2.32666477E-07 1.93750704E-11-3.15759847E-16 3.69949720E+03 5.78756825E+00 3.41896226E+00 3.19255801E-04-3.08292717E-07 3.64407494E-10-1.00195479E-13 3.45264448E+03 2.54433372E+00 H2O 20387H 2O 1 G 0300.00 5000.00 1000.00 0.02672146E+02 0.03056293E-01-0.08730260E-05 0.01200996E-08-0.06391618E-13 -0.02989921E+06 0.06862817E+02 0.03386842E+02 0.03474982E-01-0.06354696E-04 0.06968581E-07-0.02506588E-10-0.03020811E+06 0.02590233E+02 N2 121286N 2 G 0300.00 5000.00 1000.00 0.02926640E+02 0.01487977E-01-0.05684761E-05 0.01009704E-08-0.06753351E-13 -0.09227977E+04 0.05980528E+02 0.03298677E+02 0.01408240E-01-0.03963222E-04 0.05641515E-07-0.02444855E-10-0.01020900E+05 0.03950372E+02 HO2 L 5/89H 1O 2 G 200.000 3500.000 1000.000 4.01721090E+00 2.23982013E-03-6.33658150E-07 1.14246370E-10-1.07908535E-14 1.11856713E+02 3.78510215E+00 4.30179801E+00-4.74912051E-03 2.11582891E-05 -2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00 H2O2 120186H 2O 2 G 0300.00 5000.00 1000.00 0.04573167E+02 0.04336136E-01-0.01474689E-04 0.02348904E-08-0.01431654E-12 -0.01800696E+06 0.05011370E+01 0.03388754E+02 0.06569226E-01-0.01485013E-05 -0.04625806E-07 0.02471515E-10-0.01766315E+06 0.06785363E+02 AR 120186AR 1 G 0300.00 5000.00 1000.00 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.07453750E+04 0.04366001E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366001E+02 CH2O 6/29/04 RUSCIC 1H 2O 1 0G 300.000 5000.000 1486.000 4.02068394E+00 5.09903417E-03-1.76430480E-06 2.76025879E-10-1.60998042E-14 -1.49287258E+04 1.06525547E+00 3.00754197E+00 3.04729496E-03 5.25109246E-06 -5.12019281E-09 1.27133795E-12-1.41188397E+04 8.10120233E+00 CO 29/11/04 C 1O 1 0 0G 300.000 5000.000 1429.000 3.11216890E+00 1.15948283E-03-3.38480362E-07 4.41403098E-11-2.12862228E-15 -1.42718539E+04 5.71725177E+00 3.19036352E+00 8.94419972E-04-3.24927563E-08 -1.04599967E-10 2.41965693E-14-1.42869054E+04 5.33277914E+00 CO2 29/11/04 C 1O 2 0 0G 300.000 5000.000 1380.000 5.18953018E+00 2.06006476E-03-7.33575324E-07 1.17004374E-10-6.91729215E-15 -4.93178953E+04-5.18289303E+00 2.57930490E+00 8.24684987E-03-6.42716047E-06 2.54637024E-09-4.12030443E-13-4.84162830E+04 8.81141041E+00 HCO 29/11/04 H 1C 1O 1 0G 300.000 5000.000 1690.000 3.44148164E+00 3.52157719E-03-1.24136118E-06 1.97328644E-10-1.16538616E-14 3.97409684E+03 6.24593456E+00 3.81049965E+00 8.13269825E-04 3.13164701E-06 -2.39478268E-09 5.06894554E-13 4.03859901E+03 4.94843165E+00 HO2CHO 6/26/95 THERMC 1H 2O 3 0G 300.000 5000.000 1378.00 9.87503878E+00 4.64663708E-03-1.67230522E-06 2.68624413E-10-1.59595232E-14 -3.80502496E+04-2.24939155E+01 2.42464726E+00 2.19706380E-02-1.68705546E-05 6.25612194E-09-9.11645843E-13-3.54828006E+04 1.75027796E+01 O2CHO 6/26/95 THERMC 1H 1O 3 0G 300.000 5000.000 1368.00 7.24075139E+00 4.63312951E-03-1.63693995E-06 2.59706693E-10-1.52964699E-14 -1.87027618E+04-6.49547212E+00 3.96059309E+00 1.06002279E-02-5.25713351E-06 1.01716726E-09-2.87487602E-14-1.73599383E+04 1.17807483E+01 HOCHO 9/27/ 5 THERMC 1H 2O 2 0G 300.000 5000.000 1419.000 7.67134440E+00 4.43426373E-03-1.60867436E-06 2.59770020E-10-1.54899704E-14 -4.89708660E+04-1.73024418E+01 1.28069021E+00 1.52887758E-02-5.64150476E-06 -1.22968799E-09 8.14273233E-13-4.64347524E+04 1.83142081E+01 HOCO 9/27/ 5 THERMC 1H 1O 2 0G 300.000 5000.000 1549.000 6.94282268E+00 2.37391844E-03-8.67074662E-07 1.40644617E-10-8.41268695E-15 -2.50292163E+04-1.14792361E+01 8.98154532E-01 1.67269019E-02-1.33663562E-05 4.83071199E-09-6.38718748E-13-2.30262021E+04 2.07803865E+01 OCHO 9/27/ 5 THERMC 1H 1O 2 0G 300.000 5000.000 1412.000 6.49815560E+00 3.22319012E-03-1.17099595E-06 1.89272918E-10-1.12937000E-14

SUPPLEMENTAL MATERIAL-1.81679042E+04-1.00412613E+01 1.42991854E+00 1.22803284E-02-5.28461096E-06 -3.73026551E-10 5.07953571E-13-1.62042814E+04 1.80411779E+01 HOCH2O2H 4/ 9/98 THERMC 1H 4O 3 0G 300.000 5000.000 1422.000 1.16303827E+01 7.15133688E-03-2.39035030E-06 3.65772791E-10-2.10199524E-14 -4.31079242E+04-3.24276725E+01 1.85716693E+00 3.23153132E-02-2.69928902E-05 1.11694484E-08-1.81284103E-12-4.00314471E+04 1.90917729E+01 HOCH2O2 4/ 9/98 THERMC 1H 3O 3 0G 300.000 5000.000 1412.000 9.04545938E+00 7.15223373E-03-2.37005676E-06 3.60083481E-10-2.05750228E-14 -2.49414886E+04-1.74210530E+01 2.85441621E+00 2.33663535E-02-1.88115990E-05 7.96709515E-09-1.36346618E-12-2.29866196E+04 1.51730565E+01 OCH2O2H 4/ 9/98 THERMC 1H 3O 3 0G 300.000 5000.000 1420.000 1.15398246E+01 5.34291432E-03-1.81878917E-06 2.81968625E-10-1.63584348E-14 -1.68237489E+04-3.20700633E+01 1.93823075E+00 3.01465730E-02-2.61053152E-05 1.09463562E-08-1.78312692E-12-1.38166625E+04 1.85042002E+01 HOCH2O 2/16/99 THERMC 1H 3O 2 0G 300.000 5000.000 1452.000 6.39521515E+00 7.43673043E-03-2.50422354E-06 3.84879712E-10-2.21778689E-14 -2.41108840E+04-6.63865583E+00 4.11183145E+00 7.53850697E-03 3.77337370E-06 -5.38746005E-09 1.45615887E-12-2.28023001E+04 7.46807254E+00 CH3OH 2/25/ 4 THERMC 1H 4O 1 0G 300.000 5000.000 1985.000 3.92867513E+00 9.81626074E-03-3.40615476E-06 5.35510197E-10-3.13776029E-14 -2.61454175E+04 2.69464483E+00 1.82176844E+00 1.23326420E-02-2.73742177E-06 -1.07387318E-09 4.23644837E-13-2.52222207E+04 1.48104300E+01 CH2OH 2/25/ 4 THERMC 1H 3O 1 0G 300.000 5000.000 1399.000 5.41875913E+00 5.66185244E-03-1.87471136E-06 2.84441938E-10-1.62299798E-14 -3.61475540E+03-3.49277963E+00 3.05674228E+00 1.19335634E-02-8.72501303E-06 3.82781054E-09-7.22887951E-13-2.83140190E+03 8.98878133E+00 CH3O 8/ 9/ 4 THERMC 1H 3O 1 0G 300.000 5000.000 1509.000 4.64787019E+00 6.90830683E-03-2.34404776E-06 3.61994570E-10-2.09253541E-14 -2.99208881E+02-1.57740193E+00 2.23058023E+00 8.53178586E-03 1.02166624E-06 -3.41046916E-09 9.94691038E-13 9.45939708E+02 1.28377569E+01 CH3O2H 1/14/ 5 THERMC 1H 4O 2 0G 300.000 5000.000 1367.000 8.80409289E+00 8.09427218E-03-2.85843274E-06 4.53369754E-10-2.66980707E-14 -1.98512174E+04-2.17000591E+01 2.83880024E+00 1.86096249E-02-8.48165412E-06 1.00387451E-09 1.71612429E-13-1.74033753E+04 1.16092433E+01 CH3O2 1/14/ 5 THERMC 1H 3O 2 0G 300.000 5000.000 1365.000 6.34718801E+00 7.92089358E-03-2.76601913E-06 4.35360631E-10-2.54984762E-14 -1.83436055E+03-7.42552545E+00 3.80497590E+00 9.80784660E-03-3.90940624E-07 -2.23072602E-09 6.43310820E-13-4.55625796E+02 7.81789100E+00 CH2O2H 1/14/ 5 THERMC 1H 3O 2 0G 300.000 5000.000 1357.000 9.10784249E+00 5.27260434E-03-1.88170543E-06 3.00561364E-10-1.77865959E-14 3.77440183E+03-2.11741044E+01 4.47228333E+00 1.33401095E-02-5.92919725E-06 4.44481025E-10 2.12699899E-13 5.67413711E+03 4.72608208E+00 CH4 29/11/04 H 4C 1 0 0G 300.000 5000.000 1462.000 4.09617653E+00 7.44330845E-03-2.63871900E-06 4.19577604E-10-2.47508050E-14 -1.13835704E+04-4.67561383E+00 3.72113020E+00-2.50293289E-03 1.90246534E-05 -1.46871253E-08 3.43791152E-12-1.01424099E+04 1.22776596E+00 CH3 C 1H 3 0 0G 300.000 5000.000 1389.000 3.51281376E+00 5.11412613E-03-1.67632050E-06 2.52495174E-10-1.43302923E-14 1.61238027E+04 1.62436112E+00 3.43858162E+00 4.07752664E-03 3.19830994E-07 -9.47669390E-10 2.21828166E-13 1.63164018E+04 2.52807406E+00 CH2 120186C 1H 2 G 0250.00 4000.00 1000.00 0.03636408E+02 0.01933057E-01-0.01687016E-05-0.01009899E-08 0.01808256E-12 0.04534134E+06 0.02156561E+02 0.03762237E+02 0.01159819E-01 0.02489585E-05 0.08800836E-08-0.07332435E-11 0.04536791E+06 0.01712578E+02 CH2(S) 31287C 1H 2 G 0300.00 4000.00 1000.00 0.03552889E+02 0.02066788E-01-0.01914116E-05-0.01104673E-08 0.02021350E-12 0.04984975E+06 0.01686570E+02 0.03971265E+02-0.01699089E-02 0.01025369E-04 0.02492551E-07-0.01981266E-10 0.04989368E+06 0.05753207E+00 CH 121286C 1H 1 G 0300.00 5000.00 1000.00 0.02196223E+02 0.02340381E-01-0.07058201E-05 0.09007582E-09-0.03855040E-13 0.07086723E+06 0.09178373E+02 0.03200202E+02 0.02072876E-01-0.05134431E-04 0.05733890E-07-0.01955533E-10 0.07045259E+06 0.03331588E+02 C C 1 G 0300.00 5000.00 1000.00 0.02602087E+02-0.01787081E-02 0.09087041E-06-0.01149933E-09 0.03310844E-14 0.08542154E+06 0.04195177E+02 0.02498585E+02 0.08085777E-03-0.02697697E-05 0.03040729E-08-0.01106652E-11 0.08545878E+06 0.04753459E+02 C2H6 8/ 4/ 4 THERMC 2H 6 0 0G 300.000 5000.000 1383.000 6.05972630E+00 1.30382837E-02-4.48103942E-06 6.97762095E-10-4.05606353E-14 -1.35751226E+04-1.28608001E+01 4.78623203E-02 2.40569127E-02-1.15155912E-05 2.48666238E-09-1.78343944E-13-1.10923014E+04 2.06544071E+01 C2H5 8/ 4/ 4 THERMC 2H 5 0 0G 300.000 5000.000 1387.000 5.88784390E+00 1.03076793E-02-3.46844396E-06 5.32499257E-10-3.06512651E-14 1.15065499E+04-8.49651771E+00 1.32730217E+00 1.76656753E-02-6.14926558E-06 -3.01143466E-10 4.38617775E-13 1.34284028E+04 1.71789216E+01 C2H4 10/ 4/ 5 THERMC 2H 4 0 0G 300.000 5000.000 1395.000 5.22176372E+00 8.96137303E-03-3.04868886E-06 4.71465524E-10-2.72739592E-14 3.60389679E+03-7.47789234E+00 2.33879687E-01 1.96334647E-02-1.16833214E-05 3.64246453E-09-4.77442715E-13 5.46489338E+03 1.97084228E+01 C2H3 10/ 4/ 5 THERMC 2H 3 0 0G 300.000 5000.000 1395.000 5.07331248E+00 6.58316278E-03-2.23762924E-06 3.45803379E-10-1.99940490E-14 3.37234748E+04-3.39792712E+00 1.25329724E+00 1.56258370E-02-1.07803879E-05 4.18054634E-09-7.01360362E-13 3.50734773E+04 1.71341661E+01 C2H2 10/ 4/ 5 THERMC 2H 2 0 0G 300.000 5000.000 1407.000 4.98265164E+00 4.25992930E-03-1.37483523E-06 2.04717964E-10-1.15191740E-14 2.52697118E+04-5.81321385E+00 2.06742667E+00 1.46568506E-02-1.52947063E-05 8.30965761E-09-1.72932175E-12 2.59578589E+04 8.62758672E+00 C2H 10/ 4/ 5 THERMC 2H 1 0 0G 300.000 5000.000 1361.000 4.66893822E+00 2.01284720E-03-7.01828634E-07 1.10347228E-10-6.45790465E-15 6.60310696E+04-2.25424693E+00 4.27708350E+00 1.74130076E-03 7.31180206E-07 -9.71827901E-10 2.36956727E-13 6.63125955E+04 3.16341916E-01 CH3CHO 8/10/ 4 THERMC 2H 4O 1 0G 300.000 5000.000 1377.000 6.98518866E+00 9.67897787E-03-3.31841954E-06 5.16025901E-10-2.99725903E-14 -2.39807279E+04-1.27484852E+01 1.77060035E+00 1.84475161E-02-7.24138162E-06 2.34364561E-10 3.35543891E-13-2.18078850E+04 1.65023437E+01 CH3CO 8/10/ 4 THERMC 2H 3O 1 0G 300.000 5000.000 1371.000 6.56682466E+00 7.55308669E-03-2.59966784E-06 4.05334994E-10-2.35876164E-14 -4.76690401E+03-8.83301965E+00 2.52884150E+00 1.37152173E-02-4.28607476E-06 -7.71684278E-10 4.83836380E-13-3.02546532E+03 1.40340315E+01 CH2CHO 8/10/ 4 THERMC 2H 3O 1 0G 300.000 5000.000 1388.000 7.54145790E+00 6.82297125E-03-2.36938607E-06 3.71633517E-10-2.17160048E-14 -2.61437239E+03-1.62602766E+01 1.47616956E+00 2.08974186E-02-1.50123552E-05 5.62967382E-09-8.76624470E-13-4.82050510E+02 1.63756465E+01 CH2CO 121686C 2H 2O 1 G 0300.00 5000.00 1000.00 0.06038817E+02 0.05804840E-01-0.01920954E-04 0.02794485E-08-0.01458868E-12 -0.08583402E+05-0.07657581E+02 0.02974971E+02 0.01211871E+00-0.02345046E-04 -0.06466685E-07 0.03905649E-10-0.07632637E+05 0.08673553E+02 HCCO 32387H 1C 2O 1 G 0300.00 4000.00 1000.00 0.06758073E+02 0.02000400E-01-0.02027607E-05-0.01041132E-08 0.01965165E-12 0.01901513E+06-0.09071262E+02 0.05047965E+02 0.04453478E-01 0.02268283E-05 -0.01482095E-07 0.02250742E-11 0.01965892E+06 0.04818439E+01 HCCOH 32387H 2C 2O 1 G 0300.00 4000.00 1000.00 0.07328324E+02 0.03336416E-01-0.03024705E-05-0.01781106E-08 0.03245168E-12 0.07598258E+05-0.01401214E+03 0.03899465E+02 0.09701075E-01-0.03119309E-05 -0.05537732E-07 0.02465732E-10 0.08701190E+05 0.04491875E+02 CH3CO3H 6/26/95 THERMC 2H 4O 3 0G 300.000 5000.000 1391.000 1.25060485E+01 9.47789695E-03-3.30402246E-06 5.19630793E-10-3.04233568E-14 -4.59856703E+04-3.79195947E+01 2.24135876E+00 3.37963514E-02-2.53887482E-05 9.67583587E-09-1.49266157E-12-4.24677831E+04 1.70668133E+01 CH3CO3 4/ 3/ 0 THERMC 2H 3O 3 0G 300.000 5000.000 1391.000 1.12522498E+01 8.33652672E-03-2.89014530E-06 4.52781734E-10-2.64354456E-14 -2.60238584E+04-2.96370457E+01 3.60373432E+00 2.70080341E-02-2.08293438E-05 8.50541104E-09-1.43846110E-12-2.34205171E+04 1.12014914E+01 CH3CO2 2/14/95 THERMC 2H 3O 2 0G 300.000 5000.000 1395.000 8.54059736E+00 8.32951214E-03-2.84722010E-06 4.41927196E-10-2.56373394E-14 -2.97290678E+04-2.03883545E+01 1.37440768E+00 2.49115604E-02-1.74308894E-05 6.24799508E-09-9.09516835E-13-2.72330150E+04 1.81405454E+01 C2H5OH 8/ 9/ 4 THERMC 2H 6O 1 0G 300.000 5000.000 1395.000 8.31742137E+00 1.29603294E-02-4.39286497E-06 6.77734995E-10-3.91448231E-14 -3.25219715E+04-1.96502783E+01 1.79106094E-01 3.09060081E-02-1.93596697E-05 6.31830859E-09-8.53166875E-13-2.95670605E+04 2.44715919E+01 PC2H4OH 8/ 9/ 4 THERMC 2H 5O 1 0G 300.000 5000.000 1396.000 7.88509591E+00 1.08287795E-02-3.66829683E-06 5.65734300E-10-3.26673351E-14 -7.44974622E+03-1.44673770E+01 9.90023426E-01 2.61564272E-02-1.65928300E-05 5.50525131E-09-7.57520667E-13-4.96032283E+03 2.28675716E+01 SC2H4OH 8/ 9/ 4 THERMC 2H 5O 1 0G 300.000 5000.000 1397.000 8.34980768E+00 1.03718068E-02-3.49683481E-06 5.37524748E-10-3.09661005E-14 -1.10556188E+04-1.81354112E+01 1.61103852E+00 2.63511867E-02-1.82941500E-05 6.91243160E-09-1.10384057E-12-8.71494725E+03 1.80114775E+01 C2H5O 8/ 9/ 4 THERMC 2H 5O 1 0G 300.000 5000.000 1393.000 8.23717244E+00 1.10885879E-02-3.78808372E-06 5.87613473E-10-3.40712889E-14 -6.22948597E+03-1.93190543E+01 2.87429022E-01 2.86500918E-02-1.83857008E-05 6.03096179E-09-8.04562643E-13-3.35717377E+03 2.37513898E+01 O2C2H4OH 2/14/95 THERMC 2H 5O 3 0G 300.000 5000.000 1392.000 1.07432659E+01 1.30957787E-02-4.45370088E-06 6.88548738E-10-3.98230113E-14 -2.55911274E+04-2.33254953E+01 4.11839445E+00 2.72240632E-02-1.60824430E-05 5.17033408E-09-7.31610168E-13-2.30857785E+04 1.28482112E+01 C2H5O2H 1/14/ 5 THERMC 2H 6O 2 0G 300.000 5000.000 1391.000 1.12305737E+01 1.20482120E-02-3.96730201E-06 6.00754632E-10-3.42657803E-14 -2.47977531E+04-3.25607232E+01 1.57329011E+00 3.52379996E-02-2.53203993E-05 9.56802476E-09-1.48167375E-12-2.15278368E+04 1.90472032E+01 C2H5O2 1/14/ 5 THERMC 2H 5O 2 0G 300.000 5000.000 1387.000 8.77641329E+00 1.18767163E-02-3.87683050E-06 5.83210754E-10-3.31006724E-14 -6.78748703E+03-1.83119972E+01 2.58630333E+00 2.61836362E-02-1.68306193E-05 6.08749295E-09-9.57302040E-13-4.58588992E+03 1.50486289E+01 C2H4O2H 1/14/ 5 THERMC 2H 5O 2 0G 300.000 5000.000 1397.000 1.05228954E+01 9.48091381E-03-3.55727763E-06 6.41445994E-10-4.21232247E-14 1.55718322E+03-2.31413632E+01 3.46916874E+00 2.71188626E-02-2.08022550E-05 8.44284845E-09-1.40756215E-12 3.89688270E+03 1.43400726E+01 CH3CHO2H 1/14/ 5 THERMC 2H 5O 2 0G 300.000 5000.000 1385.000 1.06284708E+01 1.01662327E-02-3.34915963E-06 5.07257146E-10-2.89352540E-14 -2.15391230E+03-2.60363030E+01 3.91433011E+00 2.52722102E-02-1.62112291E-05 5.45591592E-09-7.57965290E-13 2.38044573E+02 1.02327238E+01 C2H4O1-2 9/ 1/ 0 THERMC 2H 4O 1 0G 300.000 5000.000 1399.000 6.99485763E+00 1.00772459E-02-3.45220932E-06 5.36571216E-10-3.11563543E-14 -1.04091344E+04-1.59857976E+01-1.44361790E+00 2.91837107E-02-1.96805054E-05 6.67472575E-09-9.02139342E-13-7.43433507E+03 2.95212453E+01 C2H3O1-2 4/ 3/ 0 THERMC 2H 3O 1 0G 300.000 5000.000 1492.000 6.88486471E+00 6.94720501E-03-2.23214698E-06 3.32190767E-10-1.87124555E-14 1.26442200E+04-1.23842570E+01-1.62965122E+00 2.93455486E-02-2.43737550E-05 1.00522325E-08-1.61259036E-12 1.52459425E+04 3.22782741E+01 CH3COCH3 8/30/ 4 THERMC 3H 6O 1 0G 300.000 5000.000 1382.000 9.62674379E+00 1.45519245E-02-4.97749457E-06 7.72794591E-10-4.48367165E-14 -3.11862263E+04-2.61613449E+01 1.24527408E+00 2.99760255E-02-1.40026661E-05 2.16453512E-09 1.27637295E-13-2.78348727E+04 2.03682615E+01 CH3COCH2 8/30/ 4 THERMC 3H 5O 1 0G 300.000 5000.000 1388.000 1.08892477E+01 1.11540675E-02-3.85516785E-06 6.02834048E-10-3.51533449E-14 -1.00741464E+04-3.18043322E+01 1.22337251E+00 3.24546742E-02-2.13542518E-05 6.96777735E-09-8.99160299E-13-6.59419324E+03 2.05537233E+01 CH3COCH2O2 2/14/95 C 3H 5O 3 0G 300.000 5000.000 1379.00 1.27690342E+01 1.42554828E-02-4.92821461E-06 7.70448921E-10-4.49110534E-14 -2.34798669E+04-3.27155799E+01 5.95535468E+00 2.70255205E-02-1.37385031E-05 3.53735851E-09-4.03922557E-13-2.06679464E+04 5.21436049E+00 CH3COCH2O2H 2/14/95 C 3H 6O 3 0G 300.000 5000.000 1381.00 1.52372810E+01 1.44114651E-02-5.01290009E-06 7.87071229E-10-4.60225784E-14 -4.27564444E+04-4.77383784E+01 4.94789761E+00 3.60474432E-02-2.21719933E-05 6.98296874E-09-9.21269260E-13-3.88687178E+04 8.49926130E+00 CH3COCH2O 4/ 3/ 0 THERMC 3H 5O 2 0G 300.000 5000.000 1370.000 1.14637586E+01 1.32124342E-02-4.56580495E-06 7.13897538E-10-4.16281047E-14 -2.23833017E+04-3.15127868E+01 3.72927689E+00 2.63943697E-02-1.09796486E-05 8.58185303E-10 3.39474590E-13-1.91551565E+04 1.18505335E+01 C2H3CHO 6/26/95 THERMC 3H 4O 1 0G 300.000 5000.000 1393.000 1.04184959E+01 9.48963321E-03-3.29310529E-06 5.16279203E-10-3.01587291E-14 -1.49630281E+04-3.07235061E+01 2.92355162E-01 3.54321417E-02-2.94936324E-05 1.28100124E-08-2.26144108E-12-1.16521584E+04 2.28878280E+01 C2H3CO 4/ 3/ 0 THERMC 3H 3O 1 0G 300.000 5000.000 1402.000 9.37467676E+00 7.91296900E-03-2.67198280E-06 4.11115430E-10-2.36978981E-14 1.92969514E+03-2.40892696E+01 1.36242013E+00 3.15273972E-02-3.00218935E-05 1.48167112E-08-2.87971530E-12 4.25770215E+03 1.72626546E+01 C2H5CHO 8/10/ 4 THERMC 3H 6O 1 0G 300.000 5000.000 1375.000 8.87216223E+00 2.01710762E-02-8.06487647E-06 1.37617784E-09-8.48922325E-14 -2.83848527E+04-2.35069163E+01 5.93107530E+00 8.87943855E-03 2.03764325E-05 -1.80149348E-08 4.14085655E-12-2.51377751E+04-5.87019974E-01 C2H5CO 8/10/ 4 THERMC 3H 5O 1 0G 300.000 5000.000 1362.000 1.00147418E+01 1.61527961E-02-6.62976122E-06 1.15290667E-09-7.21263458E-14 -1.00430305E+04-2.88570933E+01 8.35352246E+00-4.08739727E-03 3.64217954E-05 -2.72457713E-08 6.06440266E-12-6.58577307E+03-1.05948346E+01 CH2CH2CHO 8/10/ 4 THERMC 3H 5O 1 0G 300.000 5000.000 1363.000 9.96855598E+00 1.61917946E-02-6.64161740E-06 1.15444520E-09-7.21981790E-14 -4.16450354E+03-2.73971573E+01 8.36272659E+00-3.90712606E-03 3.59751257E-05 -2.69209237E-08 5.98920261E-12-7.55243244E+02-9.53140102E+00 CH3CHCHO 8/10/ 4 THERMC 3H 5O 1 0G 300.000 5000.000 1253.000 8.27772090E+00 1.95687188E-02-8.47575089E-06 1.53249728E-09-9.86441542E-14 -8.34456062E+03-2.17652483E+01-2.72811212E+00 3.80354483E-02-1.96782132E-05

SUPPLEMENTAL MATERIAL 5.09554570E-09-7.28789092E-13-3.51122739E+03 4.04496677E+01 CH3OCH3 7/20/98 THERMC 2H 6O 1 0G 300.000 5000.000 1368.000 8.27745836E+00 1.32135539E-02-4.53264362E-06 7.05316507E-10-4.09933283E-14 -2.61982700E+04-2.15190894E+01 1.50763450E+00 2.39914228E-02-8.68910500E-06 -9.66835762E-11 4.89319361E-13-2.32810894E+04 1.67317297E+01 CH3OCH2 7/20/98 THERMC 2H 5O 1 0G 300.000 5000.000 1376.000 8.17137842E+00 1.10086181E-02-3.82352277E-06 5.99637202E-10-3.50317513E-14 -3.41941605E+03-1.78650856E+01 2.91327415E+00 2.03364659E-02-9.59712342E-06 2.07478525E-09-1.71343362E-13-1.18844240E+03 1.16066817E+01 CH3OCH2O2 7/20/98 THERMC 2H 5O 3 0G 300.000 5000.000 1389.000 1.24249729E+01 1.18705986E-02-4.07906532E-06 6.35310809E-10-3.69427867E-14 -2.29679238E+04-3.53740145E+01 2.21029612E+00 3.68877454E-02-2.82561555E-05 1.15730533E-08-1.97130470E-12-1.94940940E+04 1.91463601E+01 CH2OCH2O2H 7/20/98 THERMC 2H 5O 3 0G 300.000 5000.000 1393.000 1.51191783E+01 9.23718883E-03-3.19127505E-06 4.99114678E-10-2.91162488E-14 -1.84114867E+04-4.85706618E+01 2.52895507E+00 4.24128290E-02-3.73406386E-05 1.66639333E-08-2.96443312E-12-1.44293306E+04 1.76899251E+01 CH3OCH2O2H 7/20/98 THERMC 2H 6O 3 0G 300.000 5000.000 1392.000 1.49370964E+01 1.19465829E-02-4.12746359E-06 6.45422590E-10-3.76427939E-14 -4.11001068E+04-4.99552737E+01 1.19855761E+00 4.59060764E-02-3.66252420E-05 1.49318970E-08-2.46057445E-12-3.65363161E+04 2.31339904E+01 CH3OCH2O 2/ 9/96 THERMC 2H 5O 2 0G 300.000 5000.000 2012.000 8.60261845E+00 1.35772195E-02-4.84661602E-06 7.77766193E-10-4.62633624E-14 -2.13762444E+04-1.75775023E+01 3.25889339E+00 2.22146359E-02-7.78556340E-06 -2.41484158E-10 4.51914496E-13-1.92377212E+04 1.23680069E+01 O2CH2OCH2O2H 7/20/98 TRMC 2H 5O 5 0G 300.000 5000.000 1402.000 1.92038046E+01 1.04394841E-02-3.60582939E-06 5.63792843E-10-3.28807214E-14 -3.79207055E+04-6.51847273E+01 1.99640551E+00 5.83226232E-02-5.53259778E-05 2.59810540E-08-4.77141005E-12-3.27628742E+04 2.44215005E+01 HO2CH2OCHO 8/31/99 THERMC 2H 4O 4 0G 300.000 5000.000 1387.000 1.64584298E+01 8.52683511E-03-3.04113500E-06 4.85596908E-10-2.87316334E-14 -6.23959608E+04-5.38924139E+01 3.47935703E+00 4.02952392E-02-3.30109296E-05 1.34360117E-08-2.18601580E-12-5.80629934E+04 1.52521392E+01 OCH2OCHO 4/ 9/98 THERMC 2H 3O 3 0G 300.000 5000.000 1475.000 1.20233916E+01 8.11262659E-03-2.91356462E-06 4.67340384E-10-2.77375525E-14 -4.33647231E+04-3.33691809E+01 5.19690837E+00 1.58839723E-02 3.53540547E-07 -6.10456923E-09 1.94661801E-12-4.02242792E+04 6.11645828E+00 HOCH2OCO 8/31/99 THERMC 2H 3O 3 0G 300.000 5000.000 1603.000 1.13737391E+01 8.17663898E-03-2.92034021E-06 4.66695616E-10-2.76276823E-14 -4.65575743E+04-2.86035265E+01 6.08180801E+00 1.28768359E-02 2.04419418E-06 -6.10154921E-09 1.79820559E-12-4.39526183E+04 2.54054449E+00 CH3OCHO 4/15/ 8 THERMC 2H 4O 2 0G 300.000 5000.000 1452.000 1.06569185E+01 9.38112723E-03-3.37677206E-06 5.42455596E-10-3.22295330E-14 -4.84651758E+04-3.27579443E+01 2.43526200E+00 1.81948325E-02 1.91236590E-06 -8.44248945E-09 2.61758910E-12-4.46514732E+04 1.49522265E+01 CH3OCO 4/15/ 8 THERMC 2H 3O 2 0G 300.000 5000.000 1423.000 1.02053021E+01 7.12269668E-03-2.57594255E-06 4.15104358E-10-2.47168227E-14 -2.46870635E+04-2.86407262E+01 2.83313145E+00 1.53447505E-02 1.89583962E-06 -7.70200413E-09 2.41564410E-12-2.13431832E+04 1.39524183E+01 CH2OCHO 4/15/ 8 THERMC 2H 3O 2 0G 300.000 5000.000 1442.000 1.00960096E+01 7.19887066E-03-2.59813465E-06 4.18110812E-10-2.48723387E-14 -2.36389018E+04-2.71144175E+01 2.31031671E+00 1.80474065E-02-2.71519637E-06 -4.60918579E-09 1.70037078E-12-2.02910878E+04 1.71549722E+01 HE 120186HE 1 G 0300.00 5000.00 1000.00 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.07453750E+04 0.09153489E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.09153488E+01 C3H8 8/ 4/ 4 THERMC 3H 8 0 0G 300.000 5000.000 1387.000 9.31450083E+00 1.73577154E-02-5.94222386E-06 9.22939762E-10-5.35576604E-14 -1.77234234E+04-2.89241517E+01-3.08230087E-01 3.65331801E-02-1.97610926E-05 5.15283344E-09-5.06336649E-13-1.39792198E+04 2.40478733E+01 NC3H7 8/ 4/ 4 THERMC 3H 7 0 0G 300.000 5000.000 1386.000 8.88635047E+00 1.52273279E-02-5.21905860E-06 8.11259208E-10-4.71028059E-14 7.34671584E+03-2.30727791E+01 4.74365329E-01 3.19190367E-02-1.71909780E-05 4.45927887E-09-4.36675398E-13 1.06314565E+04 2.32670929E+01 IC3H7 8/ 4/ 4 THERMC 3H 7 0 0G 300.000 5000.000 1373.000 8.14705217E+00 1.58727106E-02-5.44611541E-06 8.47207689E-10-4.92178752E-14 6.18073367E+03-1.91980850E+01 1.63417589E+00 2.40171372E-02-4.72808067E-06 -3.24354603E-09 1.23539044E-12 9.20752889E+03 1.83848082E+01 C3H6 10/23/ 5 THERMC 3H 6 0 0G 300.000 5000.000 1388.000 8.01595958E+00 1.37023634E-02-4.66249733E-06 7.21254402E-10-4.17370126E-14 -1.76749303E+03-2.00160668E+01 3.94615444E-01 2.89107662E-02-1.54886808E-05 3.88814209E-09-3.37890352E-13 1.17760132E+03 2.19003736E+01 C3H5-A 10/23/ 5 THERMC 3H 5 0 0G 300.000 5000.000 1397.000 8.45883958E+00 1.12695483E-02-3.83792864E-06 5.94059119E-10-3.43918030E-14 1.64683289E+04-2.32704266E+01-5.29131958E-01 3.34559100E-02-2.53401027E-05 1.02865754E-08-1.73258340E-12 1.94941423E+04 2.46172315E+01 C3H5-T 10/23/ 5 THERMC 3H 5 0 0G 300.000 5000.000 1382.000 7.37492443E+00 1.17510061E-02-4.00021283E-06 6.18947395E-10-3.58215018E-14 2.73982108E+04-1.43478655E+01 2.17916644E+00 2.03826623E-02-7.91413834E-06 4.76906187E-10 2.70398536E-13 2.96002535E+04 1.48785684E+01 C3H5-S 10/23/ 5 THERMC 3H 5 0 0G 300.000 5000.000 1390.000 7.88765879E+00 1.13012591E-02-3.84213130E-06 5.93982677E-10-3.43567175E-14 2.83484913E+04-1.74291589E+01 1.32807335E+00 2.53107914E-02-1.51530439E-05 4.74345565E-09-6.24666084E-13 3.07981100E+04 1.83328787E+01 C3H4-A 101993H 4C 3 G 0300.00 4000.00 1400.00 0.09776256E+02 0.05302138E-01-0.03701118E-05-0.03026386E-08 0.05089581E-12 0.01954972E+06-0.03077061E+03 0.02539831E+02 0.01633437E+00-0.01764950E-04 -0.04647365E-07 0.01729131E-10 0.02251243E+06 0.09935702E+02 C3H4-P 101993H 4C 3 G 0300.00 4000.00 1400.00 0.09768102E+02 0.05219151E-01-0.03753140E-05-0.02992191E-08 0.05107878E-12 0.01860277E+06-0.03020678E+03 0.03029730E+02 0.01498961E+00-0.01398500E-04 -0.03969619E-07 0.01388217E-10 0.02148408E+06 0.08004594E+02 C3H3 82489C 3H 3 G 0300.00 4000.00 1000.00 0.08831047E+02 0.04357195E-01-0.04109067E-05-0.02368723E-08 0.04376520E-12 0.03847420E+06-0.02177919E+03 0.04754200E+02 0.01108028E+00 0.02793323E-05 -0.05479212E-07 0.01949629E-10 0.03988883E+06 0.05854549E+01 C3H2 102193H 2C 3 G 0150.00 4000.00 1000.00 0.07670981E+02 0.02748749E-01-0.04370943E-05-0.06455599E-09 0.01663887E-12 0.06259722E+06-0.01236890E+03 0.03166714E+02 0.02482572E+00-0.04591637E-03 0.04268019E-06-0.01482152E-09 0.06350421E+06 0.08869446E+02 C3H5O 7/20/95 THERMC 3H 5O 1 0G 300.000 5000.000 1380.000 1.02551752E+01 1.14983720E-02-3.84645659E-06 5.88910346E-10-3.38557923E-14 6.26560810E+03-2.77655042E+01 1.19822582E+00 3.05579837E-02-1.80630276E-05 4.86150033E-09-4.19854562E-13 9.58217784E+03 2.15566221E+01 C3H6OOH1-3 7/19/ 0 THERMC 3H 7O 2 0G 300.000 5000.000 1384.000 1.46881564E+01 1.49941200E-02-5.24056505E-06 8.25462711E-10-4.83758952E-14 -4.77342863E+03-4.77984492E+01 1.88331465E+00 4.40156051E-02-3.07858462E-05 1.13214862E-08-1.75323184E-12-1.68779168E+02 2.14040621E+01 C3H6OOH1-2 7/19/ 0 THERMC 3H 7O 2 0G 300.000 5000.000 1402.000 1.24605763E+01 1.58889526E-02-5.32742106E-06 8.15818791E-10-4.68723250E-14 -4.20305196E+03-3.23858947E+01 2.87774562E+00 3.74166999E-02-2.36058063E-05 7.79930860E-09-1.06042562E-12-7.82368119E+02 1.93941340E+01 C3H6OOH2-1 7/19/ 0 THERMC 3H 7O 2 0G 300.000 5000.000 1407.000 1.42163221E+01 1.43382450E-02-4.78004477E-06 7.29133134E-10-4.17761973E-14 -5.67381620E+03-4.35770997E+01 2.09193950E+00 4.69220394E-02-3.90280831E-05 1.72381453E-08-3.07968979E-12-1.89377918E+03 2.00178282E+01 C3H6OOH2-2 7/19/ 0 THERMC 3H 7O 2 0G 300.000 5000.000 1407.000 1.42163221E+01 1.43382450E-02-4.78004477E-06 7.29133134E-10-4.17761973E-14 -5.67381620E+03-4.35770997E+01 2.09193950E+00 4.69220394E-02-3.90280831E-05 1.72381453E-08-3.07968979E-12-1.89377918E+03 2.00178282E+01 C3H6OOH1-2O2 7/19/ 0 TRMC 3H 7O 4 0G 300.000 5000.000 1386.000 1.91759159E+01 1.59857013E-02-5.61306378E-06 8.86880495E-10-5.20877040E-14 -2.64412115E+04-6.77512936E+01 2.65196584E+00 5.74638149E-02-4.72190867E-05 2.05591557E-08-3.68787387E-12-2.08829371E+04 2.01547955E+01 C3H6OOH1-3O2 7/19/ 0 TRMC 3H 7O 4 0G 300.000 5000.000 1382.000 1.85916698E+01 1.65328553E-02-5.81343626E-06 9.19396939E-10-5.40320702E-14 -2.39598698E+04-6.42544402E+01 3.14864588E+00 5.33542571E-02-4.08330611E-05 1.67542220E-08-2.89288326E-12-1.85473645E+04 1.86305431E+01 C3H6OOH2-1O2 7/19/ 0 TRMC 3H 7O 4 0G 300.000 5000.000 1386.000 1.91759159E+01 1.59857013E-02-5.61306378E-06 8.86880495E-10-5.20877040E-14 -2.64412115E+04-6.77512936E+01 2.65196584E+00 5.74638149E-02-4.72190867E-05 2.05591557E-08-3.68787387E-12-2.08829371E+04 2.01547955E+01 NC3H7O 8/ 9/ 4 THERMC 3H 7O 1 0G 300.000 5000.000 1398.000 1.14771726E+01 1.54936722E-02-5.29459014E-06 8.21476970E-10-4.76382658E-14 -1.03998532E+04-3.53681150E+01-2.16869993E-01 4.14789744E-02-2.68724173E-05 8.76685704E-09-1.13947550E-12-6.21358042E+03 2.78942641E+01 IC3H7O 8/ 9/ 4 THERMC 3H 7O 1 0G 300.000 5000.000 1393.000 1.23135031E+01 1.38062606E-02-4.91585531E-06 8.21075632E-10-5.07493001E-14 -1.24717023E+04-4.17270532E+01-8.18260771E-01 4.68807147E-02-3.74369377E-05 1.55917264E-08-2.64308171E-12-8.15153216E+03 2.79483196E+01 NC3H7O2H 7/19/ 0 THERMC 3H 8O 2 0G 300.000 5000.000 1385.000 1.50895501E+01 1.71714707E-02-5.98498879E-06 9.40964412E-10-5.50728381E-14 -2.98352445E+04-5.28090166E+01 1.13366696E+00 4.84919904E-02-3.31801457E-05 1.19308278E-08-1.80905372E-12-2.47845493E+04 2.27256088E+01 IC3H7O2H 7/19/ 0 THERMC 3H 8O 2 0G 300.000 5000.000 1389.000 1.57046391E+01 1.65924516E-02-5.77250934E-06 9.06453070E-10-5.30084111E-14 -3.23268564E+04-5.71735156E+01 5.19265570E-01 5.32111228E-02-4.05156892E-05 1.63346713E-08-2.73751233E-12-2.71048486E+04 2.40815065E+01 NC3H7O2 7/19/ 0 THERMC 3H 7O 2 0G 300.000 5000.000 1384.000 1.26327059E+01 1.69910726E-02-5.88866873E-06 9.22195396E-10-5.38230675E-14 -1.19194652E+04-3.85349297E+01 2.10731492E+00 3.96164986E-02-2.49491599E-05 8.59450300E-09-1.31240330E-12-7.93745567E+03 1.89082748E+01 IC3H7O2 7/19/ 0 THERMC 3H 7O 2 0G 300.000 5000.000 1388.000 1.32493493E+01 1.64082190E-02-5.67432062E-06 8.87336340E-10-5.17361535E-14 -1.44109855E+04-4.29066213E+01 1.49941639E+00 4.43081205E-02-3.22414456E-05 1.29687136E-08-2.23370569E-12-1.02587980E+04 2.02336490E+01 C3H6O1-3 1/22/95 THERMC 3H 6O 1 0G 300.000 5000.000 2035.000 1.02363953E+01 1.50514705E-02-5.63636534E-06 9.32463455E-10-5.66102441E-14 -1.46212029E+04-3.36724732E+01-2.75717996E+00 4.26371602E-02-2.56831231E-05 6.62981208E-09-5.31193325E-13-1.00990375E+04 3.67181804E+01 C3H6O1-2 1/22/95 THERMC 3H 6O 1 0G 300.000 5000.000 1379.00 1.19825289E+01 1.23964696E-02-4.39113813E-06 6.97911182E-10-4.11585127E-14 -1.69739189E+04-4.22894035E+01-1.21988153E+00 4.28578772E-02-3.17530249E-05 1.21763736E-08-1.94154303E-12-1.22953761E+04 2.88467826E+01 C3KET12 7/19/ 0 THERMC 3H 6O 3 0G 300.000 5000.000 1388.000 1.70756225E+01 1.31013491E-02-4.61949408E-06 7.31991329E-10-4.30788679E-14 -4.17008637E+04-5.95778952E+01 1.10507238E+00 5.27396706E-02-4.31805774E-05 1.81618292E-08-3.10535568E-12-3.63627536E+04 2.54111636E+01 C3KET13 7/19/ 0 THERMC 3H 6O 3 0G 300.000 5000.000 1379.000 1.58927479E+01 1.40990923E-02-4.96118851E-06 7.84992198E-10-4.61488928E-14 -3.93774829E+04-5.26049341E+01 3.55241022E+00 4.18720270E-02-2.94550370E-05 1.09982900E-08-1.75045977E-12-3.48902671E+04 1.42082894E+01 C3KET21 7/19/ 0 THERMC 3H 6O 3 0G 300.000 5000.000 1371.000 1.56377776E+01 1.44059342E-02-5.08808082E-06 8.07076119E-10-4.75295650E-14 -4.30657975E+04-5.13105869E+01 4.55686367E+00 3.57076837E-02-1.94712054E-05 4.70695431E-09-3.69753807E-13-3.86710975E+04 9.97761694E+00 C3H51-2,3OOH 8/26/3 THRMC 3H 7O 4 0G 300.000 5000.000 1386.000 2.12378169E+01 1.39519596E-02-4.94539222E-06 7.86381389E-10-4.63925564E-14 -1.92864584E+04-7.69636561E+01 2.55619708E+00 6.13504487E-02-5.23205391E-05 2.28208029E-08-4.02231508E-12-1.31353414E+04 2.21043799E+01 C3H52-1,3OOH 8/26/3 THRMC 3H 7O 4 0G 300.000 5000.000 1379.000 2.02817964E+01 1.48155431E-02-5.25503386E-06 8.35963453E-10-4.93308915E-14 -1.80085066E+04-7.22688262E+01 4.12253742E+00 5.19553611E-02-3.83733727E-05 1.45851637E-08-2.29820536E-12-1.22759164E+04 1.48367359E+01 C3H6OH 1/ 7/98 THERMC 3H 7O 1 0G 300.000 5000.000 1674.000 9.31287816E+00 1.67579212E-02-5.75555480E-06 9.00584362E-10-5.26566836E-14 -1.20169635E+04-1.95011064E+01 1.20494302E+00 3.30857885E-02-1.63893637E-05 3.18103918E-09-6.84229288E-14-9.12961720E+03 2.47155202E+01 HOC3H6O2 1/ 7/98 THERMC 3H 7O 3 0G 300.000 5000.000 1397.000 1.42691004E+01 1.71837825E-02-5.83419536E-06 9.00994191E-10-5.20716210E-14 -3.14501750E+04-4.15295035E+01 3.06954289E+00 4.43105640E-02-3.18636260E-05 1.26409287E-08-2.12751901E-12-2.75893676E+04 1.83891218E+01 CH3CHCO 03/03/95 THERMC 3H 4O 1 0G 300.000 5000.000 1400.00 1.00219123E+01 9.56966300E-03-3.26221644E-06 5.05231706E-10-2.92593257E-14 -1.42482738E+04-2.77829973E+01 1.48380119E+00 3.22203013E-02-2.70250033E-05 1.20499164E-08-2.18365931E-12-1.15276540E+04 1.71552068E+01 AC3H5OOH 7/20/98 THERMC 3H 6O 2 0G 300.000 5000.000 1394.000 1.36837693E+01 1.33968049E-02-4.61533631E-06 7.19988958E-10-4.19109988E-14 -1.33165248E+04-4.31904193E+01 2.43934647E+00 4.02070638E-02-2.95322679E-05 1.14715600E-08-1.85170511E-12-9.43679906E+03 1.70549969E+01 C2H3OOH 4/18/ 8 THERMC 2H 4O 2 0G 300.000 5000.000 1397.000 1.15749951E+01 8.09909174E-03-2.81808668E-06 4.42697954E-10-2.58998042E-14 -8.84852664E+03-3.43859117E+01 1.35644398E+00 3.37002447E-02-2.75988500E-05 1.14222854E-08-1.89488886E-12-5.49996692E+03 1.98354466E+01 C4H10 8/ 4/ 4 THERMC 4H 10 0 0G 300.000 5000.000 1392.000 1.24940183E+01 2.17726258E-02-7.44272215E-06 1.15487023E-09-6.69712949E-14 -2.18403437E+04-4.45558921E+01-4.55756824E-01 4.80323389E-02-2.65497552E-05 6.92544700E-09-6.38317504E-13-1.68960904E+04 2.64870966E+01 PC4H9 8/ 4/ 4 THERMC 4H 9 0 0G 300.000 5000.000 1391.000 1.20779744E+01 1.96264778E-02-6.71302199E-06 1.04206424E-09-6.04469282E-14 3.22550473E+03-3.87719384E+01 3.20730933E-01 4.34654454E-02-2.40584970E-05 6.28245308E-09-5.80113166E-13 7.71490893E+03 2.57301085E+01

SUPPLEMENTAL MATERIALSC4H9 8/ 4/ 4 THERMC 4H 9 0 0G 300.000 5000.000 1381.000 1.16934304E+01 1.96402287E-02-6.65306517E-06 1.02631895E-09-5.92826294E-14 1.96382429E+03-3.61626672E+01 8.49159986E-01 3.82085320E-02-1.49626797E-05 2.04499211E-10 8.24254437E-13 6.38832956E+03 2.44466606E+01 C4H8-1 6/29/ 4 THERMC 4H 8 0 0G 300.000 5000.000 1391.000 1.13456574E+01 1.80843428E-02-6.17276514E-06 9.56925815E-10-5.54586212E-14 -5.88659450E+03-3.64627206E+01-8.33377133E-01 4.54141123E-02-2.97609030E-05 1.03518354E-08-1.51975733E-12-1.49161811E+03 2.94327905E+01 C4H8-2 6/29/ 4 THERMC 4H 8 0 0G 300.000 5000.000 1384.000 1.07864376E+01 1.84629194E-02-6.28289490E-06 9.72052191E-10-5.62579166E-14 -7.11649782E+03-3.44892763E+01 6.69213599E-01 3.76839941E-02-1.85689683E-05 3.69571062E-09-1.03095209E-13-3.11675402E+03 2.14868169E+01 C4H71-1 4/ 2/97 THERMC 4H 7 0 0G 300.000 5000.000 1393.000 1.12162042E+01 1.56658034E-02-5.34224661E-06 8.27633431E-10-4.79428797E-14 2.41404271E+04-3.38119007E+01 1.19943124E-01 4.15804401E-02-2.89254150E-05 1.08174803E-08-1.70622296E-12 2.80390734E+04 2.58581923E+01 C4H71-2 4/ 2/97 THERMC 4H 7 0 0G 300.000 5000.000 1389.000 1.07092407E+01 1.61102825E-02-5.49846133E-06 8.52304018E-10-4.93905022E-14 2.31874323E+04-3.07648054E+01 9.64124370E-01 3.66781354E-02-2.17105448E-05 6.55880219E-09-8.11791145E-13 2.68423270E+04 2.24365633E+01 C4H71-3 4/ 2/97 THERMC 4H 7 0 0G 300.000 5000.000 1392.000 1.09470170E+01 1.63724387E-02-5.59896200E-06 8.69147693E-10-5.04214389E-14 1.11181741E+04-3.54908400E+01-1.12475112E+00 4.34882854E-02-2.87750454E-05 9.88046971E-09-1.40120341E-12 1.54420160E+04 2.97651156E+01 C4H71-4 4/ 2/97 THERMC 4H 7 0 0G 300.000 5000.000 1392.000 1.09215027E+01 1.59294073E-02-5.43642246E-06 8.42695797E-10-4.88353299E-14 1.90921144E+04-3.12721325E+01-4.09581101E-02 4.06024409E-02-2.67339769E-05 9.28995844E-09-1.35368138E-12 2.30309664E+04 2.79985374E+01 C4H72-2 4/ 2/97 THERMC 4H 7 0 0G 300.000 5000.000 1379.000 1.01554133E+01 1.65013248E-02-5.61672328E-06 8.69103603E-10-5.03037094E-14 2.18242102E+04-2.81884706E+01 2.43874352E+00 2.92295980E-02-1.10907624E-05 3.35089369E-10 4.95669524E-13 2.50864168E+04 1.52219548E+01 C4H6 4/ 4/ 0 THERMC 4H 6 0 0G 300.000 5000.000 1398.000 1.11633789E+01 1.37163965E-02-4.69715783E-06 7.29693836E-10-4.23486203E-14 7.79039770E+03-3.69847949E+01-1.43095121E+00 4.78706062E-02-4.15446800E-05 1.91549552E-08-3.57158507E-12 1.17551314E+04 2.90825833E+01 PC4H9O2H 7/19/ 0 THERMC 4H 10O 2 0G 300.000 5000.000 1387.000 1.82687454E+01 2.16940079E-02-7.54629828E-06 1.18484806E-09-6.92818498E-14 -3.39441633E+04-6.84816300E+01 6.34644286E-01 6.20007657E-02-4.34477749E-05 1.61407616E-08-2.53121507E-12-2.76345805E+04 2.67026090E+01 SC4H9O2H 7/19/ 0 THERMC 4H 10O 2 0G 300.000 5000.000 1390.000 1.88587916E+01 2.11200987E-02-7.33205568E-06 1.14969842E-09-6.71656991E-14 -3.64236058E+04-7.20026458E+01 3.40587657E-01 6.52078069E-02-4.84840460E-05 1.91011830E-08-3.13833073E-12-3.00007960E+04 2.72835451E+01 PC4H9O2 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1385.000 1.57845448E+01 2.15210910E-02-7.44909017E-06 1.16558071E-09-6.79885609E-14 -1.60146054E+04-5.40388525E+01 1.94363650E+00 5.15513163E-02-3.28284400E-05 1.13064860E-08-1.70118606E-12-1.08358103E+04 2.13503149E+01 SC4H9O2 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1389.000 1.64031135E+01 2.09361006E-02-7.23393011E-06 1.13058996E-09-6.58938667E-14 -1.85074517E+04-5.77331636E+01 1.32689044E+00 5.62785583E-02-4.01717786E-05 1.57120967E-08-2.62948443E-12-1.31557057E+04 2.34069659E+01 PC4H9O 8/ 9/ 4 THERMC 4H 9O 1 0G 300.000 5000.000 1403.000 1.49315588E+01 1.95927054E-02-6.66958265E-06 1.03222635E-09-5.97583630E-14 -1.46178979E+04-5.25561919E+01-4.99964924E-01 5.37157310E-02-3.44426650E-05 1.08145957E-08-1.29600044E-12-9.11644218E+03 3.09183423E+01 SC4H9O 8/ 9/ 4 THERMC 4H 9O 1 0G 300.000 5000.000 1679.000 1.43323395E+01 2.04542365E-02-7.12271896E-06 1.12545447E-09-6.62697853E-14 -1.60006806E+04-5.02030895E+01-4.09000900E-01 5.38573427E-02-3.39105695E-05 1.01023834E-08-1.11268025E-12-1.11109627E+04 2.88554742E+01 C4H7O 4/ 3/ 0 THERMC 4H 7O 1 0G 300.000 5000.000 1395.000 1.53137780E+01 1.43427017E-02-4.81625517E-06 7.39574839E-10-4.26140814E-14 -7.29342884E+02-5.52937859E+01-1.60619192E+00 5.58562682E-02-4.35595767E-05 1.70589279E-08-2.65635180E-12 4.85090326E+03 3.47112559E+01 C4H8O1-2 4/ 3/ 0 THERMC 4H 8O 1 0G 300.000 5000.000 1399.000 1.39197290E+01 1.85551492E-02-6.36014179E-06 9.88844645E-10-5.74274779E-14 -2.09452548E+04-5.06788231E+01-2.42033073E+00 5.79308508E-02-4.30236499E-05 1.66679793E-08-2.64714350E-12-1.53950880E+04 3.66425242E+01 C4H8O1-3 1/22/95 THERMC 4H 8O 1 0G 300.000 5000.000 1371.000 1.54227092E+01 1.70211052E-02-6.06347951E-06 9.67354762E-10-5.71992419E-14 -2.20194174E+04-6.13871862E+01-2.53690104E+00 5.43995707E-02-3.43390305E-05 1.01079922E-08-1.10262736E-12-1.52980680E+04 3.67400719E+01 C4H8O1-4 1/22/95 THERMC 4H 8O 1 0G 300.000 5000.000 1361.000 1.42360731E+01 1.81176105E-02-6.46263809E-06 1.03194372E-09-6.10557331E-14 -2.99478670E+04-5.52081041E+01-3.28505561E+00 5.04800902E-02-2.51998984E-05 3.65743744E-09 3.94863161E-13-2.30067422E+04 4.19349253E+01 C4H8O2-3 1/22/95 THERMC 4H 8O 1 0G 300.000 5000.000 1384.000 1.58263859E+01 1.64400938E-02-5.80680311E-06 9.21146000E-10-5.42511002E-14 -2.35334573E+04-6.34844562E+01-2.98701197E+00 6.32678880E-02-5.20855777E-05 2.24064364E-08-3.95416618E-12-1.71957196E+04 3.66920390E+01 PC4H8OH 2/12/ 9 THERMC 4H 9O 1 0G 300.000 5000.000 1503.000 1.40357398E+01 1.94173155E-02-6.50230141E-06 9.95481694E-10-5.72034525E-14 -1.67631276E+04-4.41162528E+01 1.20329680E+00 4.40218297E-02-2.12295754E-05 3.03714993E-09 3.72027554E-13-1.18622440E+04 2.65515175E+01 SC4H8OH 2/12/ 9 THERMC 4H 9O 1 0G 300.000 5000.000 1392.000 1.48421985E+01 1.78435665E-02-6.16709050E-06 1.00443458E-09-6.10697983E-14 -1.81714637E+04-4.96976895E+01-1.04565044E+00 5.72423420E-02-4.43109142E-05 1.80944672E-08-3.02843329E-12-1.28718032E+04 3.48383489E+01 C4H8OH-1O2 6/26/95 THERMC 4H 9O 3 0G 300.000 5000.000 1396.000 1.74383247E+01 2.16778876E-02-7.37772628E-06 1.14128811E-09-6.60391451E-14 -3.55892620E+04-5.71247140E+01 2.88497398E+00 5.63287929E-02-3.98403503E-05 1.53891643E-08-2.51940787E-12-3.05246721E+04 2.09293355E+01 C4H8OH-2O2 6/26/95 THERMC 4H 9O 3 0G 300.000 5000.000 1399.000 1.82942871E+01 2.09395389E-02-7.12096934E-06 1.10103094E-09-6.36889768E-14 -3.80505855E+04-6.29154326E+01 2.10003504E+00 6.17528218E-02-4.77238541E-05 1.99145784E-08-3.44416275E-12-3.26698755E+04 2.30901271E+01 C4H8OOH1-1 3/27/97 THERMC 4H 9O 2 0G 300.000 5000.000 1379.000 1.80477436E+01 1.92137176E-02-6.66503008E-06 1.04468117E-09-6.10170737E-14 -1.23069570E+04-6.33580990E+01 4.36087539E+00 4.46153162E-02-2.14784588E-05 3.14619957E-09 3.03152649E-13-6.89950326E+03 1.24757248E+01 C4H8OOH1-2 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1393.000 1.58327906E+01 2.07220436E-02-7.09869028E-06 1.10302045E-09-6.40251984E-14 -8.53034314E+03-5.04399828E+01 1.51698234E+00 5.44584331E-02-3.84524319E-05 1.48145523E-08-2.42809434E-12-3.49728423E+03 2.64916926E+01 C4H8OOH1-3 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1377.000 1.76442170E+01 1.91706536E-02-6.57168641E-06 1.02246571E-09-5.94304735E-14 -1.01859280E+04-6.17115813E+01 1.94106276E+00 5.18789351E-02-3.10411683E-05 8.63568881E-09-8.42841994E-13-4.34315962E+03 2.40230471E+01 C4H8OOH1-4 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1386.000 1.78623700E+01 1.95212501E-02-6.80351173E-06 1.06960529E-09-6.26000540E-14 -8.87923008E+03-6.34393359E+01 1.45017084E+00 5.72418991E-02-4.06431218E-05 1.52821793E-08-2.42123218E-12-3.02905522E+03 2.50737890E+01 C4H8OOH2-1 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1390.000 1.84555673E+01 1.89543719E-02-6.59381457E-06 1.03538370E-09-6.05467101E-14 -1.13637100E+04-6.69839138E+01 1.01711681E+00 6.10560866E-02-4.65789185E-05 1.88024138E-08-3.15265575E-12-5.37391474E+03 2.63059691E+01 C4H8OOH2-2 3/27/97 THERMC 4H 9O 2 0G 300.000 5000.000 1383.000 1.63837700E+01 2.04422768E-02-7.04524557E-06 1.09927552E-09-6.39967086E-14 -1.45616229E+04-5.33147431E+01 4.40329034E+00 4.30478989E-02-2.14076129E-05 4.28267268E-09-1.27804885E-13-9.79432029E+03 1.30514046E+01 C4H8OOH2-3 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1387.000 1.79338472E+01 1.92153623E-02-6.64486961E-06 1.03940007E-09-6.06239862E-14 -1.25767913E+04-6.36194089E+01 1.45436266E+00 5.63121286E-02-3.84161425E-05 1.34229297E-08-1.92382914E-12-6.68916116E+03 2.54247554E+01 C4H8OOH2-4 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1390.000 1.84555673E+01 1.89543719E-02-6.59381457E-06 1.03538370E-09-6.05467101E-14 -1.13637100E+04-6.69839138E+01 1.01711681E+00 6.10560866E-02-4.65789185E-05 1.88024138E-08-3.15265575E-12-5.37391474E+03 2.63059691E+01 C4H8OOH1-2O2 7/19/ 0 TRMC 4H 9O 4 0G 300.000 5000.000 1387.000 2.23244015E+01 2.05474775E-02-7.19076348E-06 1.13361536E-09-6.64744383E-14 -3.05468277E+04-8.32666070E+01 2.22400728E+00 7.04994620E-02-5.66978827E-05 2.42627751E-08-4.29715459E-12-2.37391490E+04 2.38371533E+01 C4H8OOH1-3O2 7/19/ 0 TRMC 4H 9O 4 0G 300.000 5000.000 1387.000 2.23244015E+01 2.05474775E-02-7.19076348E-06 1.13361536E-09-6.64744383E-14 -3.05468277E+04-8.32666070E+01 2.22400728E+00 7.04994620E-02-5.66978827E-05 2.42627751E-08-4.29715459E-12-2.37391490E+04 2.38371533E+01 C4H8OOH1-4O2 7/19/ 0 TRMC 4H 9O 4 0G 300.000 5000.000 1383.000 2.17116470E+01 2.11216172E-02-7.40101448E-06 1.16772959E-09-6.85139846E-14 -2.80483124E+04-7.95885249E+01 3.12351717E+00 6.46725908E-02-4.78357914E-05 1.89656817E-08-3.18025828E-12-2.14664300E+04 2.04322494E+01 C4H8OOH2-1O2 7/19/ 0 TRMC 4H 9O 4 0G 300.000 5000.000 1387.000 2.23244015E+01 2.05474775E-02-7.19076348E-06 1.13361536E-09-6.64744383E-14 -3.05468277E+04-8.32666070E+01 2.22400728E+00 7.04994620E-02-5.66978827E-05 2.42627751E-08-4.29715459E-12-2.37391490E+04 2.38371533E+01 C4H8OOH2-3O2 7/19/ 0 TRMC 4H 9O 4 0G 300.000 5000.000 1389.000 2.29951044E+01 1.99238919E-02-6.96326765E-06 1.09677832E-09-6.42747281E-14 -3.30095408E+04-8.71461958E+01 2.19248006E+00 7.36763430E-02-6.24428300E-05 2.79371307E-08-5.10126013E-12-2.61773538E+04 2.29568752E+01 C4H8OOH2-4O2 7/19/ 0 TRMC 4H 9O 4 0G 300.000 5000.000 1387.000 2.23244015E+01 2.05474775E-02-7.19076348E-06 1.13361536E-09-6.64744383E-14 -3.05468277E+04-8.32666070E+01 2.22400728E+00 7.04994620E-02-5.66978827E-05 2.42627751E-08-4.29715459E-12-2.37391490E+04 2.38371533E+01 NC4KET12 7/19/ 0 THERMC 4H 8O 3 0G 300.000 5000.000 1388.000 2.02458485E+01 1.76440360E-02-6.19054598E-06 9.77688024E-10-5.74053258E-14 -4.58141511E+04-7.52145443E+01 8.05387149E-01 6.52375119E-02-5.18373651E-05 2.13454896E-08-3.59860255E-12-3.92395961E+04 2.84908472E+01 NC4KET13 7/19/ 0 THERMC 4H 8O 3 0G 300.000 5000.000 1386.000 1.96430808E+01 1.80940566E-02-6.33063232E-06 9.97860399E-10-5.85076458E-14 -4.59588851E+04-7.16905094E+01 2.74883461E+00 5.86936745E-02-4.49605895E-05 1.83200130E-08-3.11765369E-12-4.01065878E+04 1.88072090E+01 NC4KET14 7/19/ 0 THERMC 4H 8O 3 0G 300.000 5000.000 1382.000 1.90283822E+01 1.86604765E-02-6.53616227E-06 1.03102482E-09-6.04833256E-14 -4.34678787E+04-6.80210373E+01 3.40797147E+00 5.37386096E-02-3.72613233E-05 1.36862855E-08-2.13798779E-12-3.77919233E+04 1.65580190E+01 NC4KET21 7/19/ 0 THERMC 4H 8O 3 0G 300.000 5000.000 1376.000 1.86231473E+01 1.90969401E-02-6.70745998E-06 1.05994690E-09-6.22564248E-14 -4.71929933E+04-6.55477892E+01 4.69785973E+00 4.83859623E-02-3.05576939E-05 1.02705744E-08-1.51713483E-12-4.18665528E+04 1.06715264E+01 NC4KET23 7/19/ 0 THERMC 4H 8O 3 0G 300.000 5000.000 1387.000 1.99512969E+01 1.79558596E-02-6.31230878E-06 9.98217386E-10-5.86636973E-14 -4.95585495E+04-7.43071328E+01 4.50575961E-01 6.48862527E-02-5.04446464E-05 2.03085220E-08-3.35952497E-12-4.28779359E+04 3.00153676E+01 NC4KET24 7/19/ 0 THERMC 4H 8O 3 0G 300.000 5000.000 1380.000 1.87707201E+01 1.89490823E-02-6.65182145E-06 1.05080860E-09-6.17069393E-14 -4.72319802E+04-6.73335107E+01 2.93007283E+00 5.39296076E-02-3.66164919E-05 1.30880106E-08-1.99245456E-12-4.14118815E+04 1.86567511E+01 C2H5COCH3 4/ 3/ 0 THERMC 4H 8O 1 0G 300.000 5000.000 1381.000 1.29004080E+01 1.92211770E-02-6.63870986E-06 1.03733411E-09-6.04509514E-14 -3.52062426E+04-4.20803599E+01 1.60664724E+00 4.13951332E-02-2.23585444E-05 5.78456048E-09-5.69530338E-13-3.07586009E+04 2.02429671E+01 C2H5COCH2 4/ 3/ 0 THERMC 4H 7O 1 0G 300.000 5000.000 1383.000 1.42098738E+01 1.57866459E-02-5.50529183E-06 8.65870540E-10-5.06913329E-14 -1.41284951E+04-4.87132911E+01 1.54013856E+00 4.39486258E-02-2.97002421E-05 1.05495313E-08-1.58598769E-12-9.50796505E+03 1.99706641E+01 CH2CH2COCH3 6/21/95 THERC 4H 7O 1 0G 300.000 5000.000 1380.00 1.24694368E+01 1.71022143E-02-5.92156726E-06 9.26816806E-10-5.40730504E-14 -1.01378242E+04-3.62186375E+01 2.40255609E+00 3.67294268E-02-1.97316510E-05 5.07323216E-09-4.99655275E-13-6.15006886E+03 1.93993386E+01 CH3CHCOCH3 4/ 3/ 0 THERMC 4H 7O 1 0G 300.000 5000.000 1384.000 1.31388032E+01 1.66091073E-02-5.76924215E-06 9.04978165E-10-5.28826527E-14 -1.51162098E+04-4.38876580E+01 8.12941079E-01 4.29256944E-02-2.69230252E-05 8.59326807E-09-1.13188129E-12-1.05247481E+04 2.32952685E+01 C2H3COCH3 6/19/95 THERMC 4H 6O 1 0G 300.000 5000.000 1386.00 1.25571995E+01 1.49672645E-02-5.20015351E-06 8.15864365E-10-4.76824406E-14 -2.14622958E+04-4.01434299E+01 2.45578501E-01 4.26432049E-02-2.91126822E-05 1.03478392E-08-1.53551381E-12-1.70305379E+04 2.64430799E+01 CH3CHOOCOCH3 6/27/95 C 4H 7O 3 0G 300.000 5000.000 1393.00 1.72170832E+01 1.76740453E-02-6.10387321E-06 9.53711693E-10-5.55757409E-14 -3.05280370E+04-5.67959657E+01 1.59405312E+00 5.74729487E-02-4.65071459E-05 2.01816805E-08-3.61175600E-12-2.53445178E+04 2.60857480E+01 CH2CHOOHCOCH3 6/27/95 C 4H 7O 3 0G 300.000 5000.000 1394.00 1.93158016E+01 1.56592602E-02-5.45395604E-06 8.57160086E-10-5.01582885E-14 -2.47752201E+04-6.70296581E+01 1.55204769E+00 6.08201262E-02-5.04704383E-05 2.16347587E-08-3.75674081E-12-1.89563540E+04 2.71011896E+01 NC3H7CHO 9/27/95 THERMC 4H 8O 1 0G 300.000 5000.000 1378.00 1.35988068E+01 1.81652474E-02-6.17844458E-06 9.55980208E-10-5.53442958E-14 -3.15845348E+04-4.51790228E+01 1.87415959E+00 4.19240315E-02-2.35148779E-05 6.26913673E-09-6.09443908E-13-2.71032194E+04 1.91568574E+01 NC3H7CO 9/27/95 THERMC 4H 7O 1 0G 300.000 5000.000 1380.00 1.30026331E+01 1.63104877E-02-5.57642899E-06 8.65670629E-10-5.02255667E-14 -1.25523385E+04-4.02608515E+01 2.67256826E+00 3.71198825E-02-2.06862859E-05 5.48873888E-09-5.35864183E-13-8.58050888E+03 1.64848950E+01 C3H6CHO-1 9/27/95 THERMC 4H 7O 1 0G 300.000 5000.000 1379.000

SUPPLEMENTAL MATERIAL 1.30322954E+01 1.62418373E-02-5.54388124E-06 8.59723685E-10-4.98459726E-14 -6.45915975E+03-3.92399021E+01 2.67672303E+00 3.73064128E-02-2.11281405E-05 5.80472681E-09-6.09688236E-13-2.49714183E+03 1.75750933E+01 C3H6CHO-2 11/15/95 THERMC 4H 7O 1 0G 300.000 5000.000 1682.000 1.11942816E+01 1.81806772E-02-6.35916662E-06 1.00727333E-09-5.93943618E-14 -6.86826460E+03-2.80298956E+01 2.95067531E+00 3.34223079E-02-1.45356815E-05 1.67282048E-09 2.62011555E-13-3.79034324E+03 1.74324072E+01 C3H6CHO-3 11/15/95 THERMC 4H 7O 1 0G 300.000 5000.000 1387.000 1.34301738E+01 1.62250792E-02-5.60631713E-06 8.76356273E-10-5.10864241E-14 -1.13561098E+04-4.47371262E+01 1.35168659E+00 4.23714083E-02-2.69123192E-05 8.70132567E-09-1.15287455E-12-6.91166610E+03 2.09381509E+01 C2H5CHCO 9/27/95 THERMC 4H 6O 1 0G 300.000 5000.000 1400.00 1.34100537E+01 1.38766678E-02-4.74130143E-06 7.35504188E-10-4.26457752E-14 -1.83790837E+04-4.45295352E+01 2.76600655E-01 4.82966593E-02-4.02376928E-05 1.76564254E-08-3.14365357E-12-1.41717351E+04 2.47118671E+01 SC3H5CHO 11/15/95 THERC 4H 6O 1 0G 300.000 5000.000 1390.000 1.31695904E+01 1.42484434E-02-4.90843998E-06 7.65789041E-10-4.45834896E-14 -2.04032613E+04-4.43673205E+01 4.35795171E-01 4.48719314E-02-3.36582931E-05 1.33066870E-08-2.17839128E-12-1.60394651E+04 2.37597452E+01 SC3H5CO 11/15/95 THERMC 4H 5O 1 0G 300.000 5000.000 1392.000 1.25514754E+01 1.22521948E-02-4.22382101E-06 6.59184896E-10-3.83818826E-14 -4.25349795E+03-4.02864145E+01 1.74191343E+00 3.97229536E-02-3.20061901E-05 1.38227925E-08-2.46272017E-12-6.64428100E+02 1.70762023E+01 IC4H10 8/ 4/ 4 THERMC 4H 10 0 0G 300.000 5000.000 1387.000 1.25375828E+01 2.20249881E-02-7.59339274E-06 1.18498137E-09-6.89902468E-14 -2.29421635E+04-4.67741623E+01-9.72807331E-01 5.08660928E-02-3.12355006E-05 1.02057756E-08-1.44168766E-12-1.78542290E+04 2.69572545E+01 IC4H9 8/ 4/ 4 THERMC 4H 9 0 0G 300.000 5000.000 1386.000 1.21276930E+01 1.98689494E-02-6.85937004E-06 1.07141528E-09-6.24184609E-14 2.11952051E+03-4.08727278E+01-2.21457835E-01 4.63756324E-02-2.88282920E-05 9.60200646E-09-1.39021034E-12 6.76153637E+03 2.64801220E+01 TC4H9 8/ 4/ 4 THERMC 4H 9 0 0G 300.000 5000.000 1372.000 1.05855083E+01 2.11892055E-02-7.31668360E-06 1.14296173E-09-6.65898835E-14 3.18311189E+02-3.20671258E+01 3.04300181E+00 2.91276259E-02-4.01386786E-06 -4.90273974E-09 1.64014891E-12 4.04780980E+03 1.21127351E+01 IC4H8 10/23/ 5 THERMC 4H 8 0 0G 300.000 5000.000 1388.000 1.12258330E+01 1.81795798E-02-6.20348592E-06 9.61444458E-10-5.57088057E-14 -7.90617899E+03-3.66411888E+01 9.38433173E-01 3.90547287E-02-2.16437148E-05 5.87267077E-09-6.14435479E-13-3.95452013E+03 1.98337802E+01 IC4H7 10/23/ 5 THERMC 4H 7 0 0G 300.000 5000.000 1393.000 1.16382753E+01 1.57681299E-02-5.38538858E-06 8.35172927E-10-4.84141083E-14 1.03408230E+04-3.90259890E+01-7.20881697E-04 4.36495730E-02-3.16385877E-05 1.23984983E-08-2.04378360E-12 1.43654373E+04 2.33234340E+01 IC4H9O2 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1387.000 1.59741221E+01 2.13534740E-02-7.39001105E-06 1.15624411E-09-6.74408046E-14 -1.72329304E+04-5.65302409E+01 1.21434293E+00 5.45388311E-02-3.67001593E-05 1.34131042E-08-2.11741793E-12-1.18482450E+04 2.34153048E+01 TC4H9O2 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1388.000 1.67061556E+01 2.07327780E-02-7.17596169E-06 1.12282473E-09-6.54941386E-14 -2.04046924E+04-6.35558608E+01 1.08742583E+00 5.82780709E-02-4.33292697E-05 1.76892535E-08-3.06769606E-12-1.49456640E+04 2.01871963E+01 TC4H8O2H-I 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1405.000 1.78060253E+01 1.84952716E-02-6.21268423E-06 9.52753962E-10-5.48010330E-14 -1.17555816E+04-6.40180236E+01 1.57469723E+00 6.04648659E-02-4.84991814E-05 2.05236181E-08-3.52974722E-12-6.54190901E+03 2.16852700E+01 IC4H8O2H-I 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1388.000 1.80246456E+01 1.93668264E-02-6.74676496E-06 1.06040129E-09-6.20506445E-14 -1.00858977E+04-6.57629693E+01 9.94784793E-01 5.89212240E-02-4.25202225E-05 1.61370574E-08-2.55904902E-12-4.08029057E+03 2.58950880E+01 IC4H8O2H-T 7/19/ 0 THERMC 4H 9O 2 0G 300.000 5000.000 1397.000 1.52395012E+01 2.06496983E-02-6.94791927E-06 1.06651097E-09-6.13782754E-14 -1.02271199E+04-4.70908585E+01 3.77633001E+00 4.50889269E-02-2.62423875E-05 7.74736900E-09-9.11520393E-13-5.98295842E+03 1.53503399E+01 IC4H8O 7/19/95 THERMC 4H 8O 1 0G 300.000 5000.000 1399.000 1.44624830E+01 1.80562860E-02-6.18008791E-06 9.59941341E-10-5.57132297E-14 -2.30230616E+04-5.61190165E+01-2.97373741E+00 6.24618637E-02-5.04348211E-05 2.13345360E-08-3.67382824E-12-1.73274318E+04 3.62336362E+01 CC4H8O 6/29/95 THERMC 4H 8O 1 0G 300.000 5000.000 1401.000 1.35131704E+01 1.91666441E-02-6.53902359E-06 1.01366570E-09-5.87546671E-14 -2.00311488E+04-5.22146967E+01-5.27768230E+00 6.52482242E-02-5.00209030E-05 1.97452179E-08-3.15605813E-12-1.37706522E+04 4.78500688E+01 TC4H9O 8/ 9/ 4 THERMC 4H 9O 1 0G 300.000 5000.000 1397.000 1.50819361E+01 1.94454128E-02-6.61333610E-06 1.02279160E-09-5.91796928E-14 -1.88111456E+04-5.71658947E+01-5.32084074E-01 5.71613469E-02-4.20177228E-05 1.63745425E-08-2.64124700E-12-1.34963439E+04 2.62776957E+01 IC4H9O 8/ 9/ 4 THERMC 4H 9O 1 0G 300.000 5000.000 1393.000 1.46765729E+01 2.00942091E-02-6.90362097E-06 1.07495878E-09-6.24925271E-14 -1.55789914E+04-5.26039549E+01-7.66695776E-01 5.55173852E-02-3.81796473E-05 1.37862085E-08-2.07312751E-12-1.01111245E+04 3.06331234E+01 IC4H9O2H 7/19/ 0 THERMC 4H 10O 2 0G 300.000 5000.000 1388.000 1.84308794E+01 2.15337606E-02-7.48623965E-06 1.17499240E-09-6.86890788E-14 -3.51483277E+04-7.08030846E+01 2.44181899E-01 6.34027841E-02-4.49162379E-05 1.67406877E-08-2.61216478E-12-2.86959808E+04 2.72156229E+01 TC4H9O2H 7/19/ 0 THERMC 4H 10O 2 0G 300.000 5000.000 1390.000 1.91617041E+01 2.09157249E-02-7.27346821E-06 1.14180989E-09-6.67577135E-14 -3.83201687E+04-7.78230874E+01 1.14505932E-01 6.71507854E-02-5.15578410E-05 2.10256365E-08-3.56467024E-12-3.17928725E+04 2.40011030E+01 IC4H7O 4/ 3/ 0 THERMC 4H 7O 1 0G 300.000 5000.000 1386.000 1.33457615E+01 1.61218588E-02-5.44376403E-06 8.38199374E-10-4.83608280E-14 6.11443644E+02-4.36818838E+01 1.74700687E+00 4.07783436E-02-2.44750243E-05 7.06502958E-09-7.51570589E-13 4.86979233E+03 1.94535999E+01 IC4H8OH 2/14/95 THERMC 4H 9O 1 0G 300.000 5000.000 1376.000 1.25605997E+01 2.10637488E-02-7.15019648E-06 1.10439262E-09-6.38428695E-14 -1.86203249E+04-3.67889430E+01 3.29612707E+00 3.47649647E-02-1.02505618E-05 -2.04641931E-09 1.18879408E-12-1.45627247E+04 1.58606320E+01 IO2C4H8OH 8/23/95 THERMC 4H 9O 3 0G 300.000 5000.000 1395.000 1.79798208E+01 2.13452115E-02-7.29108198E-06 1.13068846E-09-6.55402236E-14 -3.85769917E+04-6.23553522E+01 2.88826008E+00 5.80363124E-02-4.26690874E-05 1.71759332E-08-2.91842186E-12-3.33881503E+04 1.83381149E+01 IC3H7CHO 2/22/96 THERMC 4H 8O 1 0G 300.000 5000.000 1391.000 1.37501656E+01 1.83126722E-02-6.28572629E-06 9.78250756E-10-5.68538653E-14 -3.26936771E+04-4.77270548E+01-2.73021382E-01 4.89696307E-02-3.12770049E-05 1.00052945E-08-1.27512074E-12-2.76054737E+04 2.83451139E+01 TC3H6CHO 2/22/96 THERMC 4H 7O 1 0G 300.000 5000.000 1389.000 1.31013047E+01 1.66391865E-02-5.68457623E-06 8.81808351E-10-5.11290161E-14 -1.30638647E+04-4.42705813E+01 1.87052762E+00 4.14869677E-02-2.66815701E-05 9.01531610E-09-1.27870633E-12-8.97730744E+03 1.66174178E+01 IC3H6CHO 2/22/96 THERMC 4H 7O 1 0G 300.000 5000.000 1390.000 1.33102250E+01 1.62097959E-02-5.57575891E-06 8.69003718E-10-5.05554202E-14 -7.62177931E+03-4.25050854E+01 5.21481767E-01 4.43114357E-02-2.86617314E-05 9.30319894E-09-1.20761563E-12-2.99677086E+03 2.68182130E+01 IC3H7CO 2/22/96 THERMC 4H 7O 1 0G 300.000 5000.000 1390.000 1.33305736E+01 1.61873930E-02-5.56711402E-06 8.67575951E-10-5.04696549E-14 -1.37307001E+04-4.33958746E+01 5.03452639E-01 4.41607510E-02-2.82139091E-05 8.93548675E-09-1.11327422E-12-9.07755468E+03 2.61991461E+01 TC4H8OOH-IO2 7/19/ 0 TRMC 4H 9O 4 0G 300.000 5000.000 1386.000 2.26382889E+01 2.03246143E-02-7.12390770E-06 1.12425028E-09-6.59732993E-14 -3.24406877E+04-8.80387843E+01 2.17782096E+00 7.17785118E-02-5.88836046E-05 2.56759171E-08-4.61678643E-12-2.55622378E+04 2.07846231E+01 IC4H8OOH-IO2 7/19/ 0 TRMC 4H 9O 4 0G 300.000 5000.000 1385.000 2.18969581E+01 2.09637874E-02-7.34664900E-06 1.15926594E-09-6.80225413E-14 -2.92664889E+04-8.20540807E+01 2.39424426E+00 6.76572549E-02-5.17083682E-05 2.10796041E-08-3.59960373E-12-2.24787495E+04 2.25029839E+01 IC4H8OOH-TO2 7/19/ 0 TRMC 4H 9O 4 0G 300.000 5000.000 1386.000 2.26382889E+01 2.03246143E-02-7.12390770E-06 1.12425028E-09-6.59732993E-14 -3.24406877E+04-8.80387843E+01 2.17782096E+00 7.17785118E-02-5.88836046E-05 2.56759171E-08-4.61678643E-12-2.55622378E+04 2.07846231E+01 IC4KETII 7/19/ 0 THERMC 4H 8O 3 0G 300.000 5000.000 1387.000 1.95143059E+01 1.82377395E-02-6.38908606E-06 1.00801571E-09-5.91440350E-14 -4.46884836E+04-7.17167584E+01 1.15501614E+00 6.10622345E-02-4.49711323E-05 1.70514654E-08-2.65948602E-12-3.82747956E+04 2.69612235E+01 IC4KETIT 7/19/ 0 THERMC 4H 8O 3 0G 300.000 5000.000 1388.000 2.09369850E+01 1.71090955E-02-6.01892169E-06 9.52353863E-10-5.59926176E-14 -4.77819819E+04-8.27717611E+01 1.14243741E+00 6.33840797E-02-4.73084738E-05 1.77145373E-08-2.67265475E-12-4.09366796E+04 2.34844867E+01 IC4H7OH 4/ 8/97 THERMC 4H 8O 1 0G 300.000 5000.000 1384.000 1.35043419E+01 1.78646968E-02-5.99304371E-06 9.18717641E-10-5.28435302E-14 -2.58255688E+04-4.44645715E+01 1.69099899E+00 4.27168891E-02-2.49281695E-05 7.00961522E-09-7.23262828E-13-2.14512334E+04 1.99500833E+01 IC4H6OH 8/19/95 THERMC 4H 7O 1 0G 300.000 5000.000 1390.000 1.40310926E+01 1.55317541E-02-5.32754961E-06 8.28785902E-10-4.81545257E-14 -7.69378228E+03-4.76555306E+01 8.63371227E-01 4.68711282E-02-3.43580339E-05 1.33031052E-08-2.13914975E-12-3.14948305E+03 2.29075523E+01 IC3H5CHO 7/19/95 THERMC 4H 6O 1 0G 300.000 5000.000 1396.000 1.36203958E+01 1.37917192E-02-4.73370118E-06 7.36655226E-10-4.20097974E-14 -2.00025274E+04-4.73184531E+01 6.27183793E-01 4.66780254E-02-3.74430631E-05 1.58330542E-08-2.73952155E-12-1.57203117E+04 2.16034294E+01 IC3H5CO 4/ 3/ 0 THERMC 4H 5O 1 0G 300.000 5000.000 1397.000 1.30667437E+01 1.16704244E-02-3.99106523E-06 6.19498148E-10-3.59348249E-14 -3.36519344E+03-4.35803090E+01 1.85097069E+00 4.18855846E-02-3.62553731E-05 1.65690659E-08-3.05850846E-12 1.70381441E+02 1.53014433E+01 TC3H6OCHO 8/25/95 THERMC 4H 7O 2 0G 300.000 5000.000 1394.00 1.70371287E+01 1.54400645E-02-5.28332886E-06 8.21085347E-10-4.76898429E-14 -2.75871941E+04-6.37271230E+01 3.70830259E-01 5.38475661E-02-3.82477565E-05 1.32882237E-08-1.79228730E-12-2.18391262E+04 2.58142112E+01 IC3H6CO 03/03/95 THERMC 4H 6O 1 0G 300.000 5000.000 1397.00 1.32548232E+01 1.40142787E-02-4.78910215E-06 7.42924342E-10-4.30737566E-14 -2.00529779E+04-4.44810221E+01 2.28039055E+00 4.17016989E-02-3.25089661E-05 1.37243419E-08-2.40573132E-12-1.63939712E+04 1.38187714E+01 IC4H7OOH 7/19/95 THERMC 4H 8O 2 0G 300.000 5000.000 1392.00 1.69234564E+01 1.78396769E-02-6.14273279E-06 9.57895028E-10-5.57438304E-14 -2.00040686E+04-5.94746070E+01 2.99117402E+00 5.03349278E-02-3.56280061E-05 1.33952154E-08-2.11053409E-12-1.51095046E+04 1.54537413E+01 TC3H6OHCHO 8/ 1/95 THERMC 4H 8O 2 0G 300.000 5000.000 1396.00 1.70788996E+01 1.74005554E-02-5.93008112E-06 9.18860909E-10-5.32512140E-14 -5.38730427E+04-6.38638754E+01 2.10033500E-01 5.63086284E-02-3.95158669E-05 1.37780428E-08-1.89068805E-12-4.80402638E+04 2.67836070E+01 TC3H6OH 8/ 9/ 4 THERMC 3H 7O 1 0G 300.000 5000.000 1392.000 1.12222277E+01 1.36444398E-02-4.51406709E-06 7.10523275E-10-4.22690392E-14 -1.75350136E+04-3.18911926E+01 1.09670360E+00 3.80727565E-02-2.75022497E-05 1.07477493E-08-1.74895773E-12-1.40764487E+04 2.22475799E+01 IC3H5OH 8/ 1/95 THERMC 3H 6O 1 0G 300.000 5000.000 1374.00 1.07381025E+01 1.31698194E-02-4.41529622E-06 6.77009837E-10-3.89608901E-14 -2.47298321E+04-3.13634050E+01 1.58376391E+00 3.16215366E-02-1.73664942E-05 4.18927663E-09-2.79899620E-13-2.12643496E+04 1.88313766E+01 TC3H6O2CHO 8/ 2/95 THERMC 4H 7O 3 0G 300.000 5000.000 1386.00 1.85534443E+01 1.68774389E-02-5.90752965E-06 9.31518085E-10-5.46345187E-14 -2.85447191E+04-6.82486667E+01 2.17883383E+00 5.41595832E-02-3.83435886E-05 1.38308104E-08-2.04190147E-12-2.27394154E+04 2.00751264E+01 TC3H6O2HCO 8/ 2/95 THERMC 4H 7O 3 0G 300.000 5000.000 1387.00 2.06472678E+01 1.48526500E-02-5.25104875E-06 8.33619219E-10-4.91256069E-14 -2.88719869E+04-7.95951389E+01 2.03864428E+00 5.80421003E-02-4.32123528E-05 1.58792094E-08-2.32209543E-12-2.24284673E+04 2.03680990E+01 IC3H5O2HCHO 8/2/95 THERMC 4H 7O 3 0G 300.000 5000.000 1387.00 2.06288832E+01 1.48625539E-02-5.25305276E-06 8.33772951E-10-4.91277401E-14 -2.27589076E+04-7.82962888E+01 2.05984770E+00 5.82331716E-02-4.37672100E-05 1.63249918E-08-2.43462051E-12-1.63496250E+04 2.13687921E+01 CH2CCH2OH 9/ 8/95 THERMC 3H 5O 1 0G 300.000 5000.000 1372.00 9.70702027E+00 1.13972660E-02-3.77993962E-06 5.75209277E-10-3.29229125E-14 9.13212884E+03-2.25012933E+01 2.88422544E+00 2.42428071E-02-1.14152268E-05 1.71775334E-09 1.42177454E-13 1.17935615E+04 1.52102335E+01 TC4H8CHO 9/ 7/95 THERMC 5H 9O 1 0G 300.000 5000.000 1397.00 1.79663933E+01 1.94207117E-02-6.67409451E-06 1.03969221E-09-6.04702651E-14 -1.33368585E+04-6.79819424E+01-9.58078294E-01 6.42003258E-02-4.70776827E-05 1.75737698E-08-2.64896151E-12-6.86582501E+03 3.33781112E+01 O2C4H8CHO 9/ 7/95 THERMC 5H 9O 3 0G 300.000 5000.000 1395.00 2.12629904E+01 2.14072282E-02-7.38342949E-06 1.15281523E-09-6.71508438E-14 -3.16854524E+04-7.99828703E+01 1.91847699E+00 6.67245869E-02-4.80871046E-05 1.78588690E-08-2.71163880E-12-2.49837984E+04 2.38577867E+01 O2HC4H8CO 9/ 7/95 THERMC 5H 9O 3 0G 300.000 5000.000 1394.00 2.38219630E+01 1.91411448E-02-6.67919154E-06 1.05127303E-09-6.15876805E-14 -3.23093973E+04-9.42580755E+01 1.82607262E+00 6.93466111E-02-4.93125140E-05 1.69848340E-08-2.26117657E-12-2.46578311E+04 2.41167544E+01 C3H5OH 9/ 8/95 THERMC 3H 6O 1 0G 300.000 5000.000 1388.00 1.02818222E+01 1.34248012E-02-4.47039448E-06 6.81924195E-10-3.90899553E-14 -1.99960114E+04-2.77736680E+01 1.08899314E+00 3.28481769E-02-1.91322648E-05 5.21635136E-09-4.82394566E-13-1.66282463E+04 2.22754535E+01 TIC4H7Q2-I 5/ 6/96 THeRMC 4H 9O 4 0G 300.000 5000.000 1400.000 2.33848631e+01 1.87070035e-02-6.44021945e-06 1.00428123e-09-5.84468189e-14 -2.61180902e+04-8.76610135e+01 4.48426361e+00 6.61225007e-02-5.27349018e-05 2.18215585e-08-3.66788946e-12-1.98906586e+04 1.26719614e+01 IIC4H7Q2-I 7/15/96 THeRMC 4H 9O 4 0G 300.000 5000.000 1394.000 2.30500244e+01 1.92149194e-02-6.66622576e-06 1.04495725e-09-6.10370520e-14

SUPPLEMENTAL MATERIAL-2.32086881e+04-8.39949885e+01 4.93055661e+00 6.05819201e-02-4.23665566e-05 1.49122008e-08-2.10978665e-12-1.68415495e+04 1.36228018e+01 IIC4H7Q2-T 7/15/96 THeRMC 4H 9O 4 0G 300.000 5000.000 1377.000 2.15070321e+01 2.05359839e-02-7.12383399e-06 1.11655053e-09-6.52112103e-14 -2.51117508e+04-7.43379783e+01 8.16274487e+00 4.34463050e-02-1.76972456e-05 4.88790666e-10 9.03915465e-13-1.96501749e+04 2.62067299e-01 NC5H12 8/ 4/ 4 THERMC 5H 12 0 0G 300.000 5000.000 1396.000 1.59247008E+01 2.59703101E-02-8.86821278E-06 1.37514707E-09-7.97105419E-14 -2.60824218E+04-6.16997349E+01-1.67881131E+00 6.41231428E-02-3.96458285E-05 1.23445155E-08-1.53325385E-12-1.96474971E+04 3.39348804E+01 C5H11-1 8/ 4/ 4 THERMC 5H 11 0 0G 300.000 5000.000 1396.000 1.54992372E+01 2.38273176E-02-8.13845161E-06 1.26220569E-09-7.31730066E-14 -1.00988975E+03-5.58563592E+01-9.94216435E-01 5.99860809E-02-3.78318587E-05 1.21310895E-08-1.57042863E-12 4.97697538E+03 3.35998032E+01 C5H11-2 8/ 4/ 4 THERMC 5H 11 0 0G 300.000 5000.000 1391.000 1.48744992E+01 2.40593799E-02-8.15587903E-06 1.25867109E-09-7.27223868E-14 -2.14733945E+03-5.17907576E+01 7.25187788E-01 4.97343569E-02-2.18806076E-05 2.09007834E-09 6.62752863E-13 3.46418370E+03 2.67485348E+01 C5H11-3 8/ 4/ 4 THERMC 5H 11 0 0G 300.000 5000.000 1391.000 1.48744992E+01 2.40593799E-02-8.15587903E-06 1.25867109E-09-7.27223868E-14 -2.14733945E+03-5.24802393E+01 7.25187788E-01 4.97343569E-02-2.18806076E-05 2.09007834E-09 6.62752863E-13 3.46418370E+03 2.60590532E+01 C5H10-1 4/ 7/97 THERMC 5H 10 0 0G 300.000 5000.000 1392.000 1.45851539E+01 2.24072471E-02-7.63348025E-06 1.18188966E-09-6.84385139E-14 -1.00898205E+04-5.23683936E+01-1.06223481E+00 5.74218294E-02-3.74486890E-05 1.27364989E-08-1.79609789E-12-4.46546666E+03 3.22739790E+01 C5H10-2 4/ 7/97 THERMC 5H 10 0 0G 300.000 5000.000 1389.000 1.41109267E+01 2.28348272E-02-7.78626835E-06 1.20627491E-09-6.98795983E-14 -1.14336507E+04-5.01601163E+01-5.41560551E-01 5.39629918E-02-3.23508738E-05 9.77416037E-09-1.18534668E-12-5.98606169E+03 2.97142748E+01 C5H81-3 3/27/97 THERMC 5H 8 0 0G 300.000 5000.000 1396.000 1.45574490E+01 1.80939266E-02-6.21671892E-06 9.67920254E-10-5.62629326E-14 1.22365462E+03-5.43889766E+01-2.32617433E+00 6.38696042E-02-5.57052591E-05 2.58049480E-08-4.83405924E-12 6.55183321E+03 3.42036513E+01 C5H91-3 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1392.000 1.41860454E+01 2.07128899E-02-7.06960617E-06 1.09607133E-09-6.35322208E-14 7.00496135E+03-5.14501773E+01-1.38013950E+00 5.57608487E-02-3.70143928E-05 1.26883901E-08-1.78538835E-12 1.25589824E+04 3.26441304E+01 C5H91-4 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1379.000 1.39904314E+01 1.99962562E-02-6.73105937E-06 1.03447598E-09-5.96148983E-14 1.36075123E+04-4.58753046E+01 2.07302224E-01 4.75322572E-02-2.55232300E-05 5.70570808E-09-2.53926602E-13 1.88300100E+04 2.97527890E+01 C5H91-5 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1392.000 1.41604486E+01 2.02710046E-02-6.90765357E-06 1.06972742E-09-6.19529514E-14 1.49795090E+04-4.72301324E+01-3.00352280E-01 5.29029897E-02-3.50199571E-05 1.21280172E-08-1.74459793E-12 2.01482388E+04 3.08938514E+01 C5H92-4 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1389.000 1.37128284E+01 2.11391857E-02-7.22186145E-06 1.12036442E-09-6.49675872E-14 5.66079366E+03-4.92475603E+01-8.61323386E-01 5.23106875E-02-3.19282664E-05 9.73236622E-09-1.17585595E-12 1.10386471E+04 3.00928924E+01 C5H92-5 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1389.000 1.36885460E+01 2.06966684E-02-7.05980383E-06 1.09401634E-09-6.33885833E-14 1.36345574E+04-4.50306538E+01 2.16350550E-01 4.94614176E-02-2.99438792E-05 9.17728978E-09-1.13613754E-12 1.86282306E+04 2.83575279E+01 C5H9O1-3 4/ 7/97 THERMC 5H 9O 1 0G 300.000 5000.000 1393.000 1.86270165E+01 1.85189638E-02-6.21111137E-06 9.52916260E-10-5.48704082E-14 -4.97349374E+03-7.09678919E+01-2.22532588E+00 6.97271843E-02-5.42285799E-05 2.13591167E-08-3.36511599E-12 1.91826163E+03 3.99711270E+01 C5H9O2-4 4/ 7/97 THERMC 5H 9O 1 0G 300.000 5000.000 1387.000 1.86104516E+01 1.87100216E-02-6.31627652E-06 9.73434030E-10-5.62316246E-14 -6.59575918E+03-7.05163465E+01-1.66449167E+00 6.51525448E-02-4.57159226E-05 1.55903830E-08-2.04144207E-12 4.10326271E+02 3.84890543E+01 C5H11O-1 4/ 7/97 THERMC 5H 11O 1 0G 300.000 5000.000 1391.000 1.73225378E+01 2.48217999E-02-8.48159842E-06 1.31587304E-09-7.63050620E-14 -1.83356880E+04-6.37681611E+01-9.02925873E-02 6.34116550E-02-4.09268668E-05 1.36982820E-08-1.89646466E-12-1.20333690E+04 3.05672313E+01 C5H11O-2 4/ 7/97 THERMC 5H 11O 1 0G 300.000 5000.000 1396.000 1.78183150E+01 2.44541516E-02-8.36505611E-06 1.29863054E-09-7.53356869E-14 -2.06350810E+04-6.67615213E+01-4.94527725E-01 6.73149844E-02-4.72324734E-05 1.75936532E-08-2.73651943E-12-1.42372243E+04 3.16370708E+01 C5H11O-3 4/ 7/97 THERMC 5H 11O 1 0G 300.000 5000.000 1396.000 1.78183150E+01 2.44541516E-02-8.36505611E-06 1.29863054E-09-7.53356869E-14 -2.06350810E+04-6.74510029E+01-4.94527725E-01 6.73149844E-02-4.72324734E-05 1.75936532E-08-2.73651943E-12-1.42372243E+04 3.09475892E+01 C5H11O2H-1 7/19/ 0 THERMC 5H 12O 2 0G 300.000 5000.000 1387.000 2.14180725E+01 2.62251472E-02-9.10691067E-06 1.42824507E-09-8.34473635E-14 -3.80401323E+04-8.39746734E+01 4.74596161E-01 7.38808098E-02-5.12216645E-05 1.87797149E-08-2.90291870E-12-3.05323779E+04 2.91362231E+01 C5H11O2H-2 7/19/ 0 THERMC 5H 12O 2 0G 300.000 5000.000 1390.000 2.21712264E+01 2.55540337E-02-8.86857346E-06 1.39034021E-09-8.12122040E-14 -4.06027396E+04-8.84830959E+01-2.68431172E-01 7.90975970E-02-5.89751277E-05 2.33029166E-08-3.83794655E-12-3.28329870E+04 3.17836191E+01 C5H11O2H-3 7/19/ 0 THERMC 5H 12O 2 0G 300.000 5000.000 1390.000 2.21712264E+01 2.55540337E-02-8.86857346E-06 1.39034021E-09-8.12122040E-14 -4.06027396E+04-8.84830959E+01-2.68431172E-01 7.90975970E-02-5.89751277E-05 2.33029166E-08-3.83794655E-12-3.28329870E+04 3.17836191E+01 C5H11O2-1 7/19/ 0 THERMC 5H 11O 2 0G 300.000 5000.000 1386.000 1.89702536E+01 2.60355552E-02-9.00706834E-06 1.40888868E-09-8.21618381E-14 -2.01253683E+04-6.97477616E+01 1.39788038E+00 6.52788893E-02-4.34224032E-05 1.57151743E-08-2.46631324E-12-1.36791222E+04 2.55411824E+01 C5H11O2-2 7/19/ 0 THERMC 5H 11O 2 0G 300.000 5000.000 1389.000 1.96655539E+01 2.53946113E-02-8.77477373E-06 1.37145913E-09-7.99350015E-14 -2.26521255E+04-7.38934310E+01 7.10786402E-01 7.03521821E-02-5.11565299E-05 2.03005197E-08-3.42470585E-12-1.59903126E+04 2.79113132E+01 C5H11O2-3 7/19/ 0 THERMC 5H 11O 2 0G 300.000 5000.000 1389.000 1.96655539E+01 2.53946113E-02-8.77477373E-06 1.37145913E-09-7.99350015E-14 -2.26521255E+04-7.38934310E+01 7.10786402E-01 7.03521821E-02-5.11565299E-05 2.03005197E-08-3.42470585E-12-1.59903126E+04 2.79113132E+01 C5H11O-1 4/ 7/97 THERMC 5H 11O 1 0G 300.000 5000.000 1391.000 1.73225378E+01 2.48217999E-02-8.48159842E-06 1.31587304E-09-7.63050620E-14 -1.83356880E+04-6.37681611E+01-9.02925873E-02 6.34116550E-02-4.09268668E-05 1.36982820E-08-1.89646466E-12-1.20333690E+04 3.05672313E+01 C5H11O-2 4/ 7/97 THERMC 5H 11O 1 0G 300.000 5000.000 1396.000 1.78183150E+01 2.44541516E-02-8.36505611E-06 1.29863054E-09-7.53356869E-14 -2.06350810E+04-6.67615213E+01-4.94527725E-01 6.73149844E-02-4.72324734E-05 1.75936532E-08-2.73651943E-12-1.42372243E+04 3.16370708E+01 C5H11O-3 4/ 7/97 THERMC 5H 11O 1 0G 300.000 5000.000 1396.000 1.78183150E+01 2.44541516E-02-8.36505611E-06 1.29863054E-09-7.53356869E-14 -2.06350810E+04-6.74510029E+01-4.94527725E-01 6.73149844E-02-4.72324734E-05 1.75936532E-08-2.73651943E-12-1.42372243E+04 3.09475892E+01 C5H10OOH1-2 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1379.000 2.09225281E+01 2.34863057E-02-8.03644420E-06 1.24880724E-09-7.25227776E-14 -1.43245680E+04-7.79152904E+01 1.66304681E+00 6.42511734E-02-3.94124754E-05 1.15348101E-08-1.25128422E-12-7.22288006E+03 2.70063739E+01 C5H10OOH1-3 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1379.000 2.09225281E+01 2.34863057E-02-8.03644420E-06 1.24880724E-09-7.25227776E-14 -1.43245680E+04-7.79152904E+01 1.66304681E+00 6.42511734E-02-3.94124754E-05 1.15348101E-08-1.25128422E-12-7.22288006E+03 2.70063739E+01 C5H10OOH1-4 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1379.000 2.09225281E+01 2.34863057E-02-8.03644420E-06 1.24880724E-09-7.25227776E-14 -1.43245680E+04-7.79152904E+01 1.66304681E+00 6.42511734E-02-3.94124754E-05 1.15348101E-08-1.25128422E-12-7.22288006E+03 2.70063739E+01 C5H10OOH1-5 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1387.000 2.10114488E+01 2.40561226E-02-8.36616955E-06 1.31339875E-09-7.67917194E-14 -1.29757849E+04-7.89329903E+01 1.26957212E+00 6.92172253E-02-4.85626715E-05 1.80144791E-08-2.81415382E-12-5.92384799E+03 2.76017751E+01 C5H10OOH2-1 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1390.000 2.17441074E+01 2.33958311E-02-8.13002591E-06 1.27566943E-09-7.45598238E-14 -1.55260698E+04-8.33092449E+01 5.18861756E-01 7.44934918E-02-5.64622871E-05 2.26488673E-08-3.77612026E-12-8.22372586E+03 3.02858118E+01 C5H10OOH2-3 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1388.000 2.10899451E+01 2.37168023E-02-8.19006128E-06 1.27986065E-09-7.45974063E-14 -1.66702092E+04-7.91383677E+01 1.27092209E+00 6.82958985E-02-4.63421243E-05 1.61403755E-08-2.30884220E-12-9.58339948E+03 2.79668173E+01 C5H10OOH2-4 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1388.000 2.10899451E+01 2.37168023E-02-8.19006128E-06 1.27986065E-09-7.45974063E-14 -1.66702092E+04-7.91383677E+01 1.27092209E+00 6.82958985E-02-4.63421243E-05 1.61403755E-08-2.30884220E-12-9.58339948E+03 2.79668173E+01 C5H10OOH2-5 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1390.000 2.17441074E+01 2.33958311E-02-8.13002591E-06 1.27566943E-09-7.45598238E-14 -1.55260698E+04-8.33092449E+01 5.18861756E-01 7.44934918E-02-5.64622871E-05 2.26488673E-08-3.77612026E-12-8.22372586E+03 3.02858118E+01 C5H10OOH3-1 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1390.000 2.17441074E+01 2.33958311E-02-8.13002591E-06 1.27566943E-09-7.45598238E-14 -1.55260698E+04-8.33092449E+01 5.18861756E-01 7.44934918E-02-5.64622871E-05 2.26488673E-08-3.77612026E-12-8.22372586E+03 3.02858118E+01 C5H10OOH3-2 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1388.000 2.10899451E+01 2.37168023E-02-8.19006128E-06 1.27986065E-09-7.45974063E-14 -1.66702092E+04-7.91383677E+01 1.27092209E+00 6.82958985E-02-4.63421243E-05 1.61403755E-08-2.30884220E-12-9.58339948E+03 2.79668173E+01 C5H10O1-2 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1382.000 1.83450823E+01 2.15894287E-02-7.59914917E-06 1.20265688E-09-7.07149348E-14 -2.52918816E+04-7.38748127E+01-2.50915891E+00 7.02820905E-02-5.23078154E-05 2.05330738E-08-3.37999472E-12-1.79263879E+04 3.83402738E+01 C5H10O1-3 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1370.000 1.85051134E+01 2.17909650E-02-7.74803799E-06 1.23453810E-09-7.29327086E-14 -2.62151881E+04-7.74524221E+01-2.70067147E+00 6.51234466E-02-3.97863209E-05 1.12983558E-08-1.18141056E-12-1.81611984E+04 3.87589334E+01 C5H10O1-4 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1371.000 1.77074517E+01 2.24725523E-02-7.98404192E-06 1.27146816E-09-7.50866945E-14 -3.63066445E+04-7.27392560E+01-3.94205066E+00 6.68440102E-02-4.09940878E-05 1.17684771E-08-1.26029870E-12-2.80943137E+04 4.58617150E+01 C5H10O1-5 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1457.000 2.13684109E+01 1.97321411E-02-7.12842160E-06 1.14789888E-09-6.83162787E-14 -3.89834904E+04-1.00032176E+02-3.02904503E+00 6.01320166E-02-2.12072490E-05 -4.91313274E-09 3.07577547E-12-2.91028862E+04 3.64698785E+01 C5H10O2-3 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1385.000 1.89379846E+01 2.10434849E-02-7.40107577E-06 1.17069402E-09-6.88106356E-14 -2.76228814E+04-7.74017673E+01-3.03891874E+00 7.46406721E-02-5.91275018E-05 2.46307903E-08-4.24312686E-12-2.01088998E+04 4.00106761E+01 C5H10O2-4 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1376.000 1.91186278E+01 2.12169126E-02-7.53764833E-06 1.20035780E-09-7.08866585E-14 -2.85216189E+04-8.03408390E+01-3.50702064E+00 7.13707278E-02-4.99483546E-05 1.76515898E-08-2.56653255E-12-2.03198734E+04 4.22612571E+01 C5H10OOH1-2O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 C5H10OOH1-3O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 C5H10OOH1-4O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 C5H10OOH1-5O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1385.000 2.48666576E+01 2.56688838E-02-8.97169324E-06 1.41315614E-09-8.28158711E-14 -3.21479218E+04-9.51211738E+01 2.81997434E+00 7.72690504E-02-5.67282509E-05 2.23236523E-08-3.71501383E-12-2.43447483E+04 2.35135259E+01 C5H10OOH2-1O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 C5H10OOH2-3O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1389.000 2.62850175E+01 2.43678422E-02-8.50101950E-06 1.33736519E-09-7.83075048E-14 -3.71537284E+04-1.03435286E+02 2.08935173E+00 8.57156954E-02-7.04986902E-05 3.07497216E-08-5.51132533E-12-2.90970365E+04 2.50297599E+01 C5H10OOH2-4O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1389.000 2.62850175E+01 2.43678422E-02-8.50101950E-06 1.33736519E-09-7.83075048E-14 -3.71537284E+04-1.03435286E+02 2.08935173E+00 8.57156954E-02-7.04986902E-05 3.07497216E-08-5.51132533E-12-2.90970365E+04 2.50297599E+01 C5H10OOH2-5O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 C5H10OOH3-1O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 C5H10OOH3-2O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1389.000 2.62850175E+01 2.43678422E-02-8.50101950E-06 1.33736519E-09-7.83075048E-14 -3.71537284E+04-1.03435286E+02 2.08935173E+00 8.57156954E-02-7.04986902E-05

SUPPLEMENTAL MATERIAL 3.07497216E-08-5.51132533E-12-2.90970365E+04 2.50297599E+01 NC5KET12 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1389.000 2.34427049E+01 2.21540692E-02-7.74817880E-06 1.22107095E-09-7.15883644E-14 -4.99350593E+04-9.09970812E+01 5.64845658E-01 7.74889690E-02-6.00818427E-05 2.42432817E-08-4.02329880E-12-4.21262314E+04 3.12910774E+01 NC5KET13 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1387.000 2.27897549E+01 2.26387719E-02-7.89832354E-06 1.24260309E-09-7.27609759E-14 -5.00526193E+04-8.71676166E+01 2.53945153E+00 7.08645319E-02-5.32266350E-05 2.12906293E-08-3.56676536E-12-4.29988725E+04 2.14543054E+01 NC5KET14 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1387.000 2.27897549E+01 2.26387719E-02-7.89832354E-06 1.24260309E-09-7.27609759E-14 -5.00526193E+04-8.71676166E+01 2.53945153E+00 7.08645319E-02-5.32266350E-05 2.12906293E-08-3.56676536E-12-4.29988725E+04 2.14543054E+01 NC5KET15 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1383.000 2.21776239E+01 2.31939864E-02-8.09797899E-06 1.27464047E-09-7.46625107E-14 -4.75611599E+04-8.35091033E+01 3.22565144E+00 6.57620962E-02-4.52752542E-05 1.64810866E-08-2.54467139E-12-4.06876266E+04 1.90851234E+01 NC5KET21 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1379.000 2.17534680E+01 2.36666119E-02-8.28610759E-06 1.30663620E-09-7.66324076E-14 -5.12815467E+04-8.09340957E+01 4.56687437E+00 6.01978739E-02-3.82935508E-05 1.29220662E-08-1.89791227E-12-4.47703435E+04 1.29580830E+01 NC5KET23 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1387.000 2.31409808E+01 2.24801534E-02-7.87662916E-06 1.24282516E-09-7.29252729E-14 -5.36784029E+04-9.00538236E+01 1.09304151E-01 7.75997760E-02-5.94124810E-05 2.36744270E-08-3.89094338E-12-4.57495597E+04 3.32799795E+01 NC5KET24 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1385.000 2.25126387E+01 2.29495597E-02-8.02286486E-06 1.26389975E-09-7.40777420E-14 -5.38122195E+04-8.63788737E+01 2.19333641E+00 7.04050260E-02-5.15856312E-05 2.00741570E-08-3.28568948E-12-4.66368524E+04 2.29520202E+01 NC5KET25 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1382.000 2.19099644E+01 2.35018200E-02-8.22261497E-06 1.29606701E-09-7.59914647E-14 -5.13242006E+04-8.27708903E+01 2.76270425E+00 6.58724877E-02-4.45144578E-05 1.58213340E-08-2.38800145E-12-4.43093682E+04 2.11180678E+01 NC5KET31 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1382.000 2.17723599E+01 2.36116706E-02-8.25813864E-06 1.30129886E-09-7.62813000E-14 -5.13543364E+04-8.16385880E+01 3.14481499E+00 6.64310592E-02-4.75232545E-05 1.85573234E-08-3.11995924E-12-4.46228757E+04 1.89760116E+01 NC5KET32 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1387.000 2.29536744E+01 2.26192649E-02-7.91922638E-06 1.24883440E-09-7.32467701E-14 -5.36792159E+04-8.86117968E+01 7.24497110E-01 7.71622935E-02-6.10369902E-05 2.55909432E-08-4.44696298E-12-4.60989830E+04 3.00522534E+01 C5H10OH-1 1/14/99 THERMC 5H 11O 1 0G 300.000 5000.000 1371.000 1.75642279E+01 2.33577469E-02-7.81503517E-06 1.19674654E-09-6.88114207E-14 -2.11605652E+04-6.19821034E+01 9.51873649E-01 5.58286144E-02-2.87750953E-05 5.54684921E-09 1.10578801E-14-1.48168651E+04 2.93877119E+01 C5H10OH-2 1/14/99 THERMC 5H 11O 1 0G 300.000 5000.000 1390.000 1.72742775E+01 2.39409708E-02-8.07388576E-06 1.24188426E-09-7.15926603E-14 -2.31054055E+04-6.11106423E+01 4.68530877E-01 6.05595171E-02-3.75900684E-05 1.16488887E-08-1.41506375E-12-1.70158316E+04 3.00652481E+01 O2C5H10OH-1 1/14/99 THRMC 5H 11O 3 0G 300.000 5000.000 1395.000 2.06059936E+01 2.61750874E-02-8.92270421E-06 1.38184638E-09-8.00235870E-14 -4.07496333E+04-7.38943495E+01 2.70461132E+00 6.83289096E-02-4.77921008E-05 1.81238720E-08-2.90871344E-12-3.44822614E+04 2.22673007E+01 O2C5H10OH-2 1/14/99 THRMC 5H 11O 3 0G 300.000 5000.000 1398.000 2.15259930E+01 2.54039694E-02-8.65952886E-06 1.34110440E-09-7.76663740E-14 -4.32473477E+04-8.00796638E+01 1.89616952E+00 7.37918569E-02-5.55488679E-05 2.24979959E-08-3.79045894E-12-3.66230283E+04 2.45460172E+01 NC6H14 7/19/ 0 THERMC 6H 14 0 0G 300.000 5000.000 1390.000 1.89634117E+01 3.04480204E-02-1.03794829E-05 1.60775457E-09-9.31269728E-14 -3.01628739E+04-7.62839355E+01-9.69606184E-01 7.29085608E-02-4.38853919E-05 1.32312807E-08-1.58437423E-12-2.27803862E+04 3.23069798E+01 C6H13-1 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1390.000 1.85385470E+01 2.83107962E-02-9.65307246E-06 1.49547585E-09-8.66336064E-14 -5.09299041E+03-7.04490943E+01-2.04871465E-01 6.83801272E-02-4.14447912E-05 1.26155802E-08-1.53120058E-12 1.83280393E+03 3.16075093E+01 C6H13-2 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1380.000 1.83687363E+01 2.80268110E-02-9.47032396E-06 1.45888527E-09-8.42002461E-14 -6.46093974E+03-6.90934018E+01 2.29560149E-01 6.33327323E-02-3.24135431E-05 6.46387687E-09-9.61420427E-14 5.25639156E+02 3.08006138E+01 C6H13-3 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1380.000 1.83687363E+01 2.80268110E-02-9.47032396E-06 1.45888527E-09-8.42002461E-14 -6.46093974E+03-6.90934018E+01 2.29560149E-01 6.33327323E-02-3.24135431E-05 6.46387687E-09-9.61420427E-14 5.25639156E+02 3.08006138E+01 C6H12-1 5/14/ 3 THERMC 6H 12 0 0G 300.000 5000.000 1392.000 1.78337529E+01 2.67377658E-02-9.10036773E-06 1.40819768E-09-8.15124244E-14 -1.42062860E+04-6.83818851E+01-1.35275205E+00 6.98655426E-02-4.59408022E-05 1.56967343E-08-2.21296175E-12-7.34368617E+03 3.53120691E+01 C6H12-2 5/14/ 3 THERMC 6H 12 0 0G 300.000 5000.000 1390.000 1.73616148E+01 2.71634902E-02-9.25249439E-06 1.43247725E-09-8.29472521E-14 -1.55509547E+04-6.61857343E+01-8.37810520E-01 6.64334712E-02-4.08801772E-05 1.27558015E-08-1.60665165E-12-8.86347329E+03 3.27785200E+01 C6H12-3 5/14/ 3 THERMC 6H 12 0 0G 300.000 5000.000 1392.000 1.74392115E+01 2.72012909E-02-9.28739405E-06 1.44011755E-09-8.34782517E-14 -1.55311520E+04-6.72316177E+01-1.74471739E+00 7.02087492E-02-4.60836866E-05 1.58225609E-08-2.26113570E-12-8.63510107E+03 3.65273503E+01 C6H111-3 5/14/ 3 THERMC 6H 11 0 0G 300.000 5000.000 1392.000 1.74385677E+01 2.50390443E-02-8.53480314E-06 1.32209951E-09-7.65892920E-14 2.88667463E+03-6.74868036E+01-1.68400759E+00 6.82608096E-02-4.55829418E-05 1.56920477E-08-2.21118204E-12 9.68283708E+03 3.57445494E+01 C6H111-4 5/14/ 3 THERMC 6H 11 0 0G 300.000 5000.000 1381.000 1.72621286E+01 2.42963321E-02-8.18563605E-06 1.25871870E-09-7.25641092E-14 9.47965134E+03-6.20229885E+01-6.66672195E-02 5.98990444E-02-3.38938138E-05 8.58922359E-09-6.54329636E-13 1.59493460E+04 3.27147756E+01 C6H111-5 5/14/ 3 THERMC 6H 11 0 0G 300.000 5000.000 1381.000 1.72621286E+01 2.42963321E-02-8.18563605E-06 1.25871870E-09-7.25641092E-14 9.47965134E+03-6.20229885E+01-6.66672195E-02 5.98990444E-02-3.38938138E-05 8.58922359E-09-6.54329636E-13 1.59493460E+04 3.27147756E+01 C6H111-6 5/14/ 3 THERMC 6H 11 0 0G 300.000 5000.000 1392.000 1.74129892E+01 2.45984185E-02-8.37352752E-06 1.29588349E-09-7.50182758E-14 1.08613574E+04-6.32669814E+01-6.17484828E-01 6.54674092E-02-4.36872486E-05 1.51936842E-08-2.18414423E-12 1.72739396E+04 3.40544957E+01 C6H112-4 5/14/ 3 THERMC 6H 11 0 0G 300.000 5000.000 1389.000 1.69675593E+01 2.54635235E-02-8.68644122E-06 1.34629700E-09-7.80191162E-14 1.54157079E+03-6.52971106E+01-1.16992307E+00 6.48326433E-02-4.05262795E-05 1.27524726E-08-1.60498435E-12 8.16316429E+03 3.32148832E+01 C6H112-5 5/14/ 3 THERMC 6H 11 0 0G 300.000 5000.000 1377.000 1.67818090E+01 2.47356833E-02-8.34368101E-06 1.28402955E-09-7.40627547E-14 8.13809667E+03-5.97810800E+01 4.63606027E-01 5.63992000E-02-2.87342339E-05 5.59014813E-09-3.57957530E-14 1.44272349E+04 3.01101704E+01 C6H112-6 5/14/ 3 THERMC 6H 11 0 0G 300.000 5000.000 1390.000 1.69431052E+01 2.50224953E-02-8.52515322E-06 1.32009254E-09-7.64493285E-14 9.51557475E+03-6.10792812E+01-1.06006806E-01 6.20508067E-02-3.86460745E-05 1.22632255E-08-1.57992990E-12 1.57546498E+04 3.15418771E+01 C6H113-1 5/14/ 3 THERMC 6H 11 0 0G 300.000 5000.000 1392.000 1.70133131E+01 2.50666461E-02-8.56223877E-06 1.32807194E-09-7.69999372E-14 9.53859681E+03-6.13920940E+01-9.77623834E-01 6.56664597E-02-4.36212067E-05 1.51941737E-08-2.20544154E-12 1.59778322E+04 3.58177060E+01 C6H11O1-3 3/28/97 THERMC 6H 11O 1 0G 300.000 5000.000 1393.000 2.22920437E+01 2.24441825E-02-7.53070994E-06 1.15575450E-09-6.65675174E-14 -9.30566725E+03-8.94778368E+01-2.54423388E+00 8.15467714E-02-6.04734167E-05 2.23330400E-08-3.25460865E-12-9.39930947E+02 4.32736817E+01 C6H11O2-4 3/28/97 THERMC 6H 11O 1 0G 300.000 5000.000 1388.000 2.17536453E+01 2.29477789E-02-7.71427788E-06 1.18540388E-09-6.83332601E-14 -1.06296518E+04-8.69112396E+01-1.97396384E+00 7.78641252E-02-5.51856115E-05 1.93459318E-08-2.65553891E-12-2.46698943E+03 4.04899267E+01 C6H12O1-2 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1390.000 1.98237675E+01 2.83076305E-02-9.79700725E-06 1.53290291E-09-8.94136512E-14 -2.86156250E+04-7.97147353E+01-2.60027118E+00 8.25140327E-02-6.19868951E-05 2.52986585E-08-4.35196287E-12-2.08474661E+04 4.03432783E+01 C6H12O1-3 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1381.000 2.00943213E+01 2.80281041E-02-9.61073019E-06 1.49563556E-09-8.69482515E-14 -2.94623491E+04-8.29672080E+01-3.67890943E+00 8.18734230E-02-5.65067852E-05 2.03434434E-08-3.05338137E-12-2.09644147E+04 4.54357891E+01 C6H12O1-4 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1385.000 1.81937451E+01 3.05132082E-02-1.05538621E-05 1.65081301E-09-9.62756740E-14 -3.91861539E+04-7.28892157E+01-4.98759747E+00 8.36690743E-02-5.83931131E-05 2.19383204E-08-3.51302429E-12-3.08768470E+04 5.22311756E+01 C6H12O1-5 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1369.000 2.18696492E+01 2.89644808E-02-1.02843212E-05 1.63714319E-09-9.66552991E-14 -4.43407005E+04-1.01256960E+02-4.89881418E+00 8.17946607E-02-4.67358620E-05 1.15229724E-08-8.38133459E-13-3.39937629E+04 4.60903286E+01 C6H12O2-3 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1392.000 2.04400807E+01 2.77275705E-02-9.58422558E-06 1.49835476E-09-8.73476387E-14 -3.09571014E+04-8.33771795E+01-3.24328996E+00 8.73751851E-02-6.95553645E-05 2.98574354E-08-5.31644810E-12-2.30127954E+04 4.25385508E+01 C6H12O2-4 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1388.000 1.99501923E+01 2.88253331E-02-1.00217930E-05 1.57295064E-09-9.19508743E-14 -3.15674310E+04-8.24846912E+01-3.75894138E+00 8.46044396E-02-6.18101303E-05 2.42424607E-08-4.01441141E-12-2.32216305E+04 4.49636341E+01 C6H12O2-5 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1388.000 1.86455632E+01 3.02705842E-02-1.05000692E-05 1.64542415E-09-9.60802316E-14 -4.14905135E+04-7.56801716E+01-5.21438722E+00 8.67847640E-02-6.36083019E-05 2.52625812E-08-4.25063214E-12-3.31071531E+04 5.24812152E+01 C6H12O3-4 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1392.000 2.04400807E+01 2.77275705E-02-9.58422558E-06 1.49835476E-09-8.73476387E-14 -3.09571014E+04-8.33771795E+01-3.24328996E+00 8.73751851E-02-6.95553645E-05 2.98574354E-08-5.31644810E-12-2.30127954E+04 4.25385508E+01 C6H13O2H-1 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1388.000 2.45609177E+01 3.07471465E-02-1.06611615E-05 1.67031752E-09-9.75224221E-14 -4.21305786E+04-9.94217981E+01 4.28827381E-01 8.52153162E-02-5.81549717E-05 2.08798889E-08-3.15227267E-12-3.34464197E+04 3.10485287E+01 C6H13O2H-2 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1390.000 2.53703550E+01 3.00455578E-02-1.04162589E-05 1.63180782E-09-9.52693153E-14 -4.47221575E+04-1.04960674E+02-4.38853727E-01 9.10055843E-02-6.66797289E-05 2.58472566E-08-4.18105592E-12-3.57293720E+04 3.35762294E+01 C6H13O2H-3 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1390.000 2.53703550E+01 3.00455578E-02-1.04162589E-05 1.63180782E-09-9.52693153E-14 -4.47221575E+04-1.04960674E+02-4.38853727E-01 9.10055843E-02-6.66797289E-05 2.58472566E-08-4.18105592E-12-3.57293720E+04 3.35762294E+01 C6H13O2-1 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1387.000 2.21224820E+01 3.05609710E-02-1.05650154E-05 1.65180006E-09-9.62963346E-14 -2.42219722E+04-8.52560175E+01 1.24283154E+00 7.71349324E-02-5.11549390E-05 1.83242032E-08-2.83058645E-12-1.65776531E+04 2.79518801E+01 C6H13O2-2 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1390.000 2.28578467E+01 2.98910703E-02-1.03239520E-05 1.61313659E-09-9.40033512E-14 -2.67682999E+04-9.03306141E+01 5.25316289E-01 8.23287654E-02-5.89792005E-05 2.29248698E-08-3.78641136E-12-1.88843662E+04 2.97737842E+01 C6H13O2-3 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1390.000 2.28578467E+01 2.98910703E-02-1.03239520E-05 1.61313659E-09-9.40033512E-14 -2.67682999E+04-9.03306141E+01 5.25316289E-01 8.23287654E-02-5.89792005E-05 2.29248698E-08-3.78641136E-12-1.88843662E+04 2.97737842E+01 C6H12OOH1-2 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1383.000 2.39324013E+01 2.82540690E-02-9.70102532E-06 1.51047138E-09-8.78256178E-14 -1.83659389E+04-9.26286863E+01 1.46739689E+00 7.63926681E-02-4.77256697E-05 1.46093613E-08-1.73635234E-12-1.01177260E+04 2.95852272E+01 C6H12OOH1-3 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1383.000 2.39324013E+01 2.82540690E-02-9.70102532E-06 1.51047138E-09-8.78256178E-14 -1.83659389E+04-9.26286863E+01 1.46739689E+00 7.63926681E-02-4.77256697E-05 1.46093613E-08-1.73635234E-12-1.01177260E+04 2.95852272E+01 C6H12OOH1-4 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1383.000 2.39324013E+01 2.82540690E-02-9.70102532E-06 1.51047138E-09-8.78256178E-14 -1.83659389E+04-9.26286863E+01 1.46739689E+00 7.63926681E-02-4.77256697E-05 1.46093613E-08-1.73635234E-12-1.01177260E+04 2.95852272E+01 C6H12OOH1-5 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1383.000 2.39324013E+01 2.82540690E-02-9.70102532E-06 1.51047138E-09-8.78256178E-14 -1.83659389E+04-9.26286863E+01 1.46739689E+00 7.63926681E-02-4.77256697E-05 1.46093613E-08-1.73635234E-12-1.01177260E+04 2.95852272E+01 C6H12OOH2-1 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1390.000 2.49425195E+01 2.78897045E-02-9.67889017E-06 1.51735809E-09-8.86312636E-14 -1.96455693E+04-9.97839086E+01 3.27957994E-01 8.64935702E-02-6.43067781E-05 2.52816700E-08-4.13905950E-12-1.11170270E+04 3.21731341E+01 C6H12OOH2-3 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1389.000 2.42386096E+01 2.82611912E-02-9.75785456E-06 1.52463492E-09-8.88530032E-14 -2.07681322E+04-9.53255329E+01 1.01849347E+00 8.05626618E-02-5.46523533E-05 1.90948643E-08-2.74735588E-12-1.24666956E+04 3.01431792E+01 C6H12OOH2-4 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1389.000 2.42386096E+01 2.82611912E-02-9.75785456E-06 1.52463492E-09-8.88530032E-14 -2.07681322E+04-9.53255329E+01 1.01849347E+00 8.05626618E-02-5.46523533E-05 1.90948643E-08-2.74735588E-12-1.24666956E+04 3.01431792E+01 C6H12OOH2-5 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1389.000 2.42386096E+01 2.82611912E-02-9.75785456E-06 1.52463492E-09-8.88530032E-14 -2.07681322E+04-9.53255329E+01 1.01849347E+00 8.05626618E-02-5.46523533E-05 1.90948643E-08-2.74735588E-12-1.24666956E+04 3.01431792E+01

SUPPLEMENTAL MATERIALC6H12OOH2-6 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1390.000 2.49425195E+01 2.78897045E-02-9.67889017E-06 1.51735809E-09-8.86312636E-14 -1.96455693E+04-9.97839086E+01 3.27957994E-01 8.64935702E-02-6.43067781E-05 2.52816700E-08-4.13905950E-12-1.11170270E+04 3.21731341E+01 C6H12OOH3-1 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1390.000 2.49425195E+01 2.78897045E-02-9.67889017E-06 1.51735809E-09-8.86312636E-14 -1.96455693E+04-9.97839086E+01 3.27957994E-01 8.64935702E-02-6.43067781E-05 2.52816700E-08-4.13905950E-12-1.11170270E+04 3.21731341E+01 C6H12OOH3-2 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1389.000 2.42386096E+01 2.82611912E-02-9.75785456E-06 1.52463492E-09-8.88530032E-14 -2.07681322E+04-9.53255329E+01 1.01849347E+00 8.05626618E-02-5.46523533E-05 1.90948643E-08-2.74735588E-12-1.24666956E+04 3.01431792E+01 C6H12OOH3-4 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1389.000 2.42386096E+01 2.82611912E-02-9.75785456E-06 1.52463492E-09-8.88530032E-14 -2.07681322E+04-9.53255329E+01 1.01849347E+00 8.05626618E-02-5.46523533E-05 1.90948643E-08-2.74735588E-12-1.24666956E+04 3.01431792E+01 C6H12OOH3-5 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1389.000 2.42386096E+01 2.82611912E-02-9.75785456E-06 1.52463492E-09-8.88530032E-14 -2.07681322E+04-9.53255329E+01 1.01849347E+00 8.05626618E-02-5.46523533E-05 1.90948643E-08-2.74735588E-12-1.24666956E+04 3.01431792E+01 C6H12OOH3-6 7/19/0 THERMC 6H 13O 2 0G 300.000 5000.000 1390.000 2.49425195E+01 2.78897045E-02-9.67889017E-06 1.51735809E-09-8.86312636E-14 -1.96455693E+04-9.97839086E+01 3.27957994E-01 8.64935702E-02-6.43067781E-05 2.52816700E-08-4.13905950E-12-1.11170270E+04 3.21731341E+01 C6H12OOH1-2O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.87780675E+01 2.95251779E-02-1.02931692E-05 1.61854521E-09-9.47401775E-14 -3.87743825E+04-1.15090906E+02 2.19542973E+00 9.38208455E-02-7.19541247E-05 2.94849979E-08-5.04751943E-12-2.96046234E+04 2.71617731E+01 C6H12OOH1-3O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.87780675E+01 2.95251779E-02-1.02931692E-05 1.61854521E-09-9.47401775E-14 -3.87743825E+04-1.15090906E+02 2.19542973E+00 9.38208455E-02-7.19541247E-05 2.94849979E-08-5.04751943E-12-2.96046234E+04 2.71617731E+01 C6H12OOH1-4O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.87780675E+01 2.95251779E-02-1.02931692E-05 1.61854521E-09-9.47401775E-14 -3.87743825E+04-1.15090906E+02 2.19542973E+00 9.38208455E-02-7.19541247E-05 2.94849979E-08-5.04751943E-12-2.96046234E+04 2.71617731E+01 C6H12OOH1-5O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.87780675E+01 2.95251779E-02-1.02931692E-05 1.61854521E-09-9.47401775E-14 -3.87743825E+04-1.15090906E+02 2.19542973E+00 9.38208455E-02-7.19541247E-05 2.94849979E-08-5.04751943E-12-2.96046234E+04 2.71617731E+01 C6H12OOH2-1O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.87780675E+01 2.95251779E-02-1.02931692E-05 1.61854521E-09-9.47401775E-14 -3.87743825E+04-1.15090906E+02 2.19542973E+00 9.38208455E-02-7.19541247E-05 2.94849979E-08-5.04751943E-12-2.96046234E+04 2.71617731E+01 C6H12OOH2-3O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.95548919E+01 2.88270019E-02-1.00437732E-05 1.57871998E-09-9.23848804E-14 -4.13185786E+04-1.19673306E+02 1.71726092E+00 9.83623459E-02-7.90354964E-05 3.37038035E-08-5.93018486E-12-3.19595468E+04 2.84741624E+01 C6H12OOH2-4O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.95548919E+01 2.88270019E-02-1.00437732E-05 1.57871998E-09-9.23848804E-14 -4.13185786E+04-1.19673306E+02 1.71726092E+00 9.83623459E-02-7.90354964E-05 3.37038035E-08-5.93018486E-12-3.19595468E+04 2.84741624E+01 C6H12OOH2-5O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.95548919E+01 2.88270019E-02-1.00437732E-05 1.57871998E-09-9.23848804E-14 -4.13185786E+04-1.19673306E+02 1.71726092E+00 9.83623459E-02-7.90354964E-05 3.37038035E-08-5.93018486E-12-3.19595468E+04 2.84741624E+01 C6H12OOH2-6O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.87780675E+01 2.95251779E-02-1.02931692E-05 1.61854521E-09-9.47401775E-14 -3.87743825E+04-1.15090906E+02 2.19542973E+00 9.38208455E-02-7.19541247E-05 2.94849979E-08-5.04751943E-12-2.96046234E+04 2.71617731E+01 C6H12OOH3-1O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.87780675E+01 2.95251779E-02-1.02931692E-05 1.61854521E-09-9.47401775E-14 -3.87743825E+04-1.15090906E+02 2.19542973E+00 9.38208455E-02-7.19541247E-05 2.94849979E-08-5.04751943E-12-2.96046234E+04 2.71617731E+01 C6H12OOH3-2O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.95548919E+01 2.88270019E-02-1.00437732E-05 1.57871998E-09-9.23848804E-14 -4.13185786E+04-1.19673306E+02 1.71726092E+00 9.83623459E-02-7.90354964E-05 3.37038035E-08-5.93018486E-12-3.19595468E+04 2.84741624E+01 C6H12OOH3-4O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.95548919E+01 2.88270019E-02-1.00437732E-05 1.57871998E-09-9.23848804E-14 -4.13185786E+04-1.19673306E+02 1.71726092E+00 9.83623459E-02-7.90354964E-05 3.37038035E-08-5.93018486E-12-3.19595468E+04 2.84741624E+01 C6H12OOH3-5O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.95548919E+01 2.88270019E-02-1.00437732E-05 1.57871998E-09-9.23848804E-14 -4.13185786E+04-1.19673306E+02 1.71726092E+00 9.83623459E-02-7.90354964E-05 3.37038035E-08-5.93018486E-12-3.19595468E+04 2.84741624E+01 C6H12OOH3-6O2 7/19/0 TRMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.87780675E+01 2.95251779E-02-1.02931692E-05 1.61854521E-09-9.47401775E-14 -3.87743825E+04-1.15090906E+02 2.19542973E+00 9.38208455E-02-7.19541247E-05 2.94849979E-08-5.04751943E-12-2.96046234E+04 2.71617731E+01 NC6KET12 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1431.000 1.76692622E+01 2.98180137E-02-9.43179071E-06 1.38583919E-09-7.72738616E-14 -4.67026645E+04-4.87302952E+01 3.38273518E+00 6.51971936E-02-4.27848450E-05 1.55394912E-08-2.34685173E-12-4.20179622E+04 2.71536226E+01 NC6KET13 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1387.000 2.59328855E+01 2.71799865E-02-9.46340472E-06 1.48679538E-09-8.69765690E-14 -5.41442590E+04-1.02621676E+02 2.36496601E+00 8.28625471E-02-6.12300153E-05 2.40951600E-08-3.97857713E-12-4.58958895E+04 2.39438215E+01 NC6KET14 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1387.000 2.59328855E+01 2.71799865E-02-9.46340472E-06 1.48679538E-09-8.69765690E-14 -5.41442590E+04-1.02621676E+02 2.36496601E+00 8.28625471E-02-6.12300153E-05 2.40951600E-08-3.97857713E-12-4.58958895E+04 2.39438215E+01 NC6KET15 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1387.000 2.59328855E+01 2.71799865E-02-9.46340472E-06 1.48679538E-09-8.69765690E-14 -5.41442590E+04-1.02621676E+02 2.36496601E+00 8.28625471E-02-6.12300153E-05 2.40951600E-08-3.97857713E-12-4.58958895E+04 2.39438215E+01 NC6KET21 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1380.000 2.48977627E+01 2.82099062E-02-9.85249224E-06 1.55108568E-09-9.08649219E-14 -5.53731276E+04-9.63947605E+01 4.39221532E+00 7.22001454E-02-4.62914048E-05 1.57162916E-08-2.30615915E-12-4.76675282E+04 1.54471571E+01 NC6KET23 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1388.000 2.63430506E+01 2.69861544E-02-9.43297025E-06 1.48601772E-09-8.70977117E-14 -5.78013235E+04-1.05866313E+02-1.35622858E-01 8.98798610E-02-6.76978860E-05 2.65961001E-08-4.32068174E-12-4.86358432E+04 3.60982792E+01 NC6KET24 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1386.000 2.56847445E+01 2.74782488E-02-9.58627575E-06 1.50810536E-09-8.83051336E-14 -5.79176568E+04-1.02009176E+02 1.73253220E+00 8.37365688E-02-6.15876454E-05 2.41188610E-08-3.97119823E-12-4.94924385E+04 2.67536906E+01 NC6KET25 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1386.000 2.56847445E+01 2.74782488E-02-9.58627575E-06 1.50810536E-09-8.83051336E-14 -5.79176568E+04-1.02009176E+02 1.73253220E+00 8.37365688E-02-6.15876454E-05 2.41188610E-08-3.97119823E-12-4.94924385E+04 2.67536906E+01 NC6KET26 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1383.000 2.50574425E+01 2.80369155E-02-9.78501982E-06 1.53978046E-09-9.01766406E-14 -5.54174830E+04-9.82500096E+01 2.58934810E+00 7.78460026E-02-5.24513152E-05 1.85689713E-08-2.78455147E-12-4.72061155E+04 2.36059697E+01 NC6KET31 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1383.000 2.49194999E+01 2.81507231E-02-9.82266516E-06 1.54541788E-09-9.04929606E-14 -5.54463958E+04-9.71141228E+01 2.96919433E+00 7.84436519E-02-5.55361775E-05 2.13589050E-08-3.52935948E-12-4.75201133E+04 2.14680944E+01 NC6KET32 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1387.000 2.60960142E+01 2.71703309E-02-9.48970254E-06 1.49407399E-09-8.75315577E-14 -5.77729470E+04-1.04067264E+02 5.64144594E-01 8.90854292E-02-6.89132035E-05 2.83151935E-08-4.84139667E-12-4.89978587E+04 3.24785934E+01 NC6KET34 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1387.000 2.60960142E+01 2.71703309E-02-9.48970254E-06 1.49407399E-09-8.75315577E-14 -5.77729470E+04-1.04067264E+02 5.64144594E-01 8.90854292E-02-6.89132035E-05 2.83151935E-08-4.84139667E-12-4.89978587E+04 3.24785934E+01 NC6KET35 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1385.000 2.55125763E+01 2.76136115E-02-9.62969344E-06 1.51447067E-09-8.86568371E-14 -5.79323622E+04-1.00670318E+02 2.47172709E+00 8.26409167E-02-6.21054242E-05 2.53063842E-08-4.36121469E-12-4.98579950E+04 2.29726065E+01 NC6KET36 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1383.000 2.49194999E+01 2.81507231E-02-9.82266516E-06 1.54541788E-09-9.04929606E-14 -5.54463958E+04-9.71141228E+01 2.96919433E+00 7.84436519E-02-5.55361775E-05 2.13589050E-08-3.52935948E-12-4.75201133E+04 2.14680944E+01 C6H13O-1 4/ 7/97 THERMC 6H 13O 1 0G 300.000 5000.000 1391.000 2.04847348E+01 2.93216823E-02-1.00270389E-05 1.55645319E-09-9.02886762E-14 -2.24313312E+04-7.93220600E+01-2.75164321E-01 7.54319868E-02-4.89209083E-05 1.64641255E-08-2.29328813E-12-1.49282944E+04 3.31091672E+01 C6H13O-2 4/ 7/97 THERMC 6H 13O 1 0G 300.000 5000.000 1396.000 2.10569902E+01 2.87986753E-02-9.83767726E-06 1.52590233E-09-8.84677299E-14 -2.47452394E+04-8.27139640E+01-7.81250097E-01 7.97868977E-02-5.58105384E-05 2.06261124E-08-3.17214287E-12-1.71172031E+04 3.46483507E+01 C6H13O-3 4/ 7/97 THERMC 6H 13O 1 0G 300.000 5000.000 1396.000 2.10569902E+01 2.87986753E-02-9.83767726E-06 1.52590233E-09-8.84677299E-14 -2.47452394E+04-8.27139640E+01-7.81250097E-01 7.97868977E-02-5.58105384E-05 2.06261124E-08-3.17214287E-12-1.71172031E+04 3.46483507E+01 C6H12OH-1 6/25/99 THERMC 6H 13O 1 0G 300.000 5000.000 1374.000 2.08351245E+01 2.75160242E-02-9.19212642E-06 1.40613856E-09-8.07910065E-14 -2.54006048E+04-7.80442288E+01 7.30467050E-01 6.80553890E-02-3.71632261E-05 8.47842648E-09-3.99384332E-13-1.78478288E+04 3.20923365E+01 C6H12OH-2 6/25/99 THERMC 6H 13O 1 0G 300.000 5000.000 1390.000 2.05388853E+01 2.82512269E-02-9.53280388E-06 1.46688381E-09-8.45889133E-14 -2.73356962E+04-7.65278460E+01 2.03282633E-01 7.28935457E-02-4.59200360E-05 1.45115010E-08-1.81146964E-12-2.00036461E+04 3.36751650E+01 C6H12OH-3 6/25/99 THERMC 6H 13O 1 0G 300.000 5000.000 1390.000 2.05388853E+01 2.82512269E-02-9.53280388E-06 1.46688381E-09-8.45889133E-14 -2.73356962E+04-7.65278460E+01 2.03282633E-01 7.28935457E-02-4.59200360E-05 1.45115010E-08-1.81146964E-12-2.00036461E+04 3.36751650E+01 O2C6H12OH-1 6/25/99 THRMC 6H 13O 3 0G 300.000 5000.000 1395.000 2.37745808E+01 3.06705946E-02-1.04669074E-05 1.62226472E-09-9.39991386E-14 -4.49540557E+04-8.94862826E+01 2.52250523E+00 8.03363569E-02-5.57536493E-05 2.08636775E-08-3.29895205E-12-3.74833645E+04 2.47960934E+01 O2C6H12OH-2 6/25/99 THRMC 6H 13O 3 0G 300.000 5000.000 1397.000 2.46632042E+01 2.99541594E-02-1.02286047E-05 1.58601587E-09-9.19277798E-14 -4.74127816E+04-9.48234723E+01 1.59446253E+00 8.62865587E-02-6.42669164E-05 2.57424275E-08-4.29953824E-12-3.95691578E+04 2.83298549E+01 O2C6H12OH-3 6/25/99 THRMC 6H 13O 3 0G 300.000 5000.000 1397.000 2.46632042E+01 2.99541594E-02-1.02286047E-05 1.58601587E-09-9.19277798E-14 -4.74127816E+04-9.48234723E+01 1.59446253E+00 8.62865587E-02-6.42669164E-05 2.57424275E-08-4.29953824E-12-3.95691578E+04 2.83298549E+01 NC4H9CHO 2/29/96 THERMC 5H 10O 1 0G 300.000 5000.000 1381.000 1.67965163E+01 2.25684519E-02-7.67631588E-06 1.18769369E-09-6.87545554E-14 -3.56826080E+04-6.09063312E+01 1.59663472E+00 5.43541416E-02-3.21020651E-05 9.35773559E-09-1.06688932E-12-2.99841025E+04 2.21281498E+01 NC4H9CO 2/29/96 THERMC 5H 9O 1 0G 300.000 5000.000 1382.000 1.61782939E+01 2.07991920E-02-7.11787892E-06 1.10559975E-09-6.41697187E-14 -1.66537752E+04-5.58943579E+01 2.43530238E+00 4.93682376E-02-2.89883082E-05 8.42863812E-09-9.68287172E-13-1.14675541E+04 1.92695879E+01 C4H8CHO-1 2/29/96 THERMC 5H 9O 1 0G 300.000 5000.000 1382.000 1.62387385E+01 2.06785503E-02-7.06216576E-06 1.09553003E-09-6.35307382E-14 -1.05717872E+04-5.50446953E+01 2.41842832E+00 4.96272127E-02-2.94995966E-05 8.76068653E-09-1.04084476E-12-5.38055616E+03 2.04609422E+01 C4H8CHO-2 2/29/96 THERMC 5H 9O 1 0G 300.000 5000.000 2014.000 1.41407667E+01 2.28357886E-02-7.96904210E-06 1.26040379E-09-7.42466834E-14 -1.07960087E+04-4.22099585E+01 2.67005026E+00 4.58193092E-02-2.29410393E-05 4.53761436E-09-1.26593772E-13-6.67002712E+03 2.04249941E+01 C4H8CHO-3 2/29/96 THERMC 5H 9O 1 0G 300.000 5000.000 2014.000 1.41407667E+01 2.28357886E-02-7.96904210E-06 1.26040379E-09-7.42466834E-14 -1.07960087E+04-4.22099585E+01 2.67005026E+00 4.58193092E-02-2.29410393E-05 4.53761436E-09-1.26593772E-13-6.67002712E+03 2.04249941E+01 C4H8CHO-4 2/29/96 THERMC 5H 9O 1 0G 300.000 5000.000 1388.000 1.65969615E+01 2.07196999E-02-7.14969212E-06 1.11659188E-09-6.50492039E-14 -1.54539499E+04-6.03180192E+01 1.16494271E+00 5.43945461E-02-3.49000792E-05 1.14582711E-08-1.54697375E-12-9.80619729E+03 2.34897110E+01 AC3H5CHO 2/29/96 THERMC 4H 6O 1 0G 300.000 5000.000 1390.000 1.22811161E+01 1.50167397E-02-5.17605303E-06 8.07796972E-10-4.70379360E-14 -1.50985283E+04-3.72055710E+01 1.59653121E-01 4.25761347E-02-2.91900593E-05 1.04044255E-08-1.53682904E-12-1.07859656E+04 2.82087323E+01 AC3H5CO 2/29/96 THERMC 4H 5O 1 0G 300.000 5000.000 1389.000 1.18646590E+01 1.28852832E-02-4.45460888E-06 6.96613045E-10-4.06215490E-14 3.86344452E+03-3.32989999E+01 9.34300027E-01 3.77751824E-02-2.61384581E-05 9.34041036E-09-1.37598294E-12 7.74223639E+03 2.56636231E+01 C2H3CHCHO 2/29/96 THERMC 4H 5O 1 0G 300.000 5000.000 1382.000 1.24074059E+01 1.27319711E-02-4.47199396E-06 7.06819922E-10-4.15245536E-14 1.71706585E+03-3.94039464E+01-8.77992983E-03 3.98630509E-02-2.66130850E-05 8.74644509E-09-1.14128759E-12 6.22475038E+03 2.79591664E+01 NC3H7COCH3 2/22/96 THERMC 5H 10O 1 0G 300.000 5000.000 1383.000 1.61841564E+01 2.35245881E-02-8.09675055E-06 1.26230690E-09-7.34487839E-14 -3.93375474E+04-5.82980615E+01 1.24037361E+00 5.42494047E-02-3.14825332E-05 9.14492321E-09-1.07665566E-12-3.36276472E+04 2.36150068E+01 NC3H7COCH2 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1389.000

SUPPLEMENTAL MATERIAL 1.61502419E+01 2.14093466E-02-7.36059614E-06 1.14656816E-09-6.66712722E-14 -1.76968561E+04-5.83864884E+01 9.58299271E-01 5.68162532E-02-3.99112781E-05 1.52671514E-08-2.49221047E-12-1.23062238E+04 2.34112884E+01 C3H6COCH3-1 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 1381.000 1.58052948E+01 2.12787457E-02-7.31842496E-06 1.14049355E-09-6.63446381E-14 -1.42827587E+04-5.34016678E+01 2.00033269E+00 4.96074565E-02-2.87470600E-05 8.26666830E-09-9.51074212E-13-9.01010845E+03 2.22761791E+01 C3H6COCH3-2 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 2017.000 1.36994763E+01 2.33997602E-02-8.20838083E-06 1.30268499E-09-7.69151198E-14 -1.44773517E+04-4.04820065E+01 2.20585184E+00 4.59605697E-02-2.23175553E-05 4.03645332E-09-1.91585252E-14-1.02918446E+04 2.24556304E+01 C3H6COCH3-3 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 1389.000 1.57976789E+01 2.17091054E-02-7.46487769E-06 1.16300253E-09-6.76366022E-14 -1.89670489E+04-5.65047695E+01 6.36829393E-01 5.50047719E-02-3.53220538E-05 1.18237807E-08-1.65550023E-12-1.34221768E+04 2.57839238E+01 C2H5COC2H5 2/22/96 THERMC 5H 10O 1 0G 300.000 5000.000 1376.000 1.67131896E+01 2.24769805E-02-7.61830162E-06 1.17658492E-09-6.80456888E-14 -3.96020446E+04-6.15362004E+01 1.59094611E+00 5.45541559E-02-3.33407641E-05 1.05931387E-08-1.42002914E-12-3.39282740E+04 2.09983080E+01 C2H5COC2H4P 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 1376.000 1.62000827E+01 2.05106647E-02-6.96977982E-06 1.07826230E-09-6.24324406E-14 -1.45067221E+04-5.52272610E+01 2.39449461E+00 4.98731839E-02-3.07394387E-05 9.95080260E-09-1.37570832E-12-9.32123954E+03 2.01162807E+01 C2H5COC2H4S 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 1385.000 1.61904470E+01 2.12169293E-02-7.35412919E-06 1.15187377E-09-6.72380864E-14 -1.92650763E+04-5.84937265E+01 1.10728106E+00 5.48902970E-02-3.67695939E-05 1.32867426E-08-2.06966690E-12-1.37435363E+04 2.32804315E+01 C2H5COC2H3 2/22/96 THERMC 5H 8O 1 0G 300.000 5000.000 1387.000 1.55916947E+01 1.96028302E-02-6.79737285E-06 1.06496015E-09-6.21767189E-14 -2.55988351E+04-5.53302818E+01 4.89126432E-01 5.49951823E-02-3.96989101E-05 1.55700373E-08-2.60070818E-12-2.02458499E+04 2.59411142E+01 PC2H4COC2H3 2/22/96 THRMC 5H 7O 1 0G 300.000 5000.000 1404.000 1.26732841E+01 2.02366192E-02-6.61089203E-06 9.93878746E-10-5.63457733E-14 7.74011225E+02-3.54543594E+01 7.62539679E-01 5.35805655E-02-4.36465022E-05 1.99232699E-08-3.73335386E-12 4.42260800E+03 2.66604751E+01 SC2H4COC2H3 2/22/96 THRMC 5H 7O 1 0G 300.000 5000.000 1389.000 1.58074213E+01 1.69721022E-02-5.91317608E-06 9.29449082E-10-5.43903161E-14 -5.49230389E+03-5.69867205E+01-1.60114035E-01 5.57954071E-02-4.31353298E-05 1.76457444E-08-2.99384261E-12-3.12060218E+01 2.83440609E+01 NC7H16 7/19/ 0 THERMC 7H 16 0 0G 300.000 5000.000 1391.000 2.22148969E+01 3.47675750E-02-1.18407129E-05 1.83298478E-09-1.06130266E-13 -3.42760081E+04-9.23040196E+01-1.26836187E+00 8.54355820E-02-5.25346786E-05 1.62945721E-08-2.02394925E-12-2.56586565E+04 3.53732912E+01 C7H15-1 7/19/ 0 THERMC 7H 15 0 0G 300.000 5000.000 1390.000 2.17940709E+01 3.26280243E-02-1.11138244E-05 1.72067148E-09-9.96366999E-14 -9.20938221E+03-8.64954311E+01-4.99570406E-01 8.08826467E-02-5.00532754E-05 1.56549308E-08-1.96616227E-12-1.04590223E+03 3.46564011E+01 C7H15-2 7/19/ 0 THERMC 7H 15 0 0G 300.000 5000.000 1382.000 2.16368842E+01 3.23324804E-02-1.09273807E-05 1.68357060E-09-9.71774091E-14 -1.05873616E+04-8.52209653E+01-3.79155767E-02 7.56726570E-02-4.07473634E-05 9.32678943E-09-4.92360745E-13-2.35605303E+03 3.37321506E+01 C7H15-3 7/19/ 0 THERMC 7H 15 0 0G 300.000 5000.000 1382.000 2.16368842E+01 3.23324804E-02-1.09273807E-05 1.68357060E-09-9.71774091E-14 -1.05873616E+04-8.52209653E+01-3.79155767E-02 7.56726570E-02-4.07473634E-05 9.32678943E-09-4.92360745E-13-2.35605303E+03 3.37321506E+01 C7H15-4 7/19/ 0 THERMC 7H 15 0 0G 300.000 5000.000 1382.000 2.16368842E+01 3.23324804E-02-1.09273807E-05 1.68357060E-09-9.71774091E-14 -1.05873616E+04-8.59104470E+01-3.79155767E-02 7.56726570E-02-4.07473634E-05 9.32678943E-09-4.92360745E-13-2.35605303E+03 3.30426690E+01 C7H14-1 7/19/ 0 THERMC 7H 14 0 0G 300.000 5000.000 1392.000 2.10898039E+01 3.10607878E-02-1.05644793E-05 1.63405780E-09-9.45598219E-14 -1.83260065E+04-8.44391108E+01-1.67720549E+00 8.24611601E-02-5.46504108E-05 1.87862303E-08-2.65737983E-12-1.02168601E+04 3.85068032E+01 C7H14-2 7/19/ 0 THERMC 7H 14 0 0G 300.000 5000.000 1390.000 2.06192047E+01 3.14852991E-02-1.07162057E-05 1.65827662E-09-9.59911785E-14 -1.96713162E+04-8.22519387E+01-1.16533279E+00 7.90439806E-02-4.96101666E-05 1.58569009E-08-2.05346433E-12-1.17362359E+04 3.59871070E+01 C7H14-3 7/19/ 0 THERMC 7H 14 0 0G 300.000 5000.000 1392.000 2.06822750E+01 3.15388629E-02-1.07571215E-05 1.66690260E-09-9.65810393E-14 -1.96450604E+04-8.25235002E+01-2.03026994E+00 8.26324377E-02-5.45514471E-05 1.87705822E-08-2.67571220E-12-1.15141029E+04 4.02316266E+01 C7H131-3 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1392.000 2.06977799E+01 2.93585249E-02-9.99754351E-06 1.54773305E-09-8.96230815E-14 -1.38049514E+03-8.35627043E+01-2.01707658E+00 8.08915559E-02-5.43383904E-05 1.88066108E-08-2.66059253E-12 6.66507961E+03 3.89797235E+01 C7H131-4 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1383.000 2.05321062E+01 2.85988588E-02-9.64125534E-06 1.48314293E-09-8.55245930E-14 5.20664966E+03-7.81606882E+01-3.37870973E-01 7.22549356E-02-4.22499105E-05 1.14646497E-08-1.05306924E-12 1.29222803E+04 3.56636773E+01 C7H131-5 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1383.000 2.05321062E+01 2.85988588E-02-9.64125534E-06 1.48314293E-09-8.55245930E-14 5.20664966E+03-7.81606882E+01-3.37870973E-01 7.22549356E-02-4.22499105E-05 1.14646497E-08-1.05306924E-12 1.29222803E+04 3.56636773E+01 C7H131-6 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1383.000 2.05321062E+01 2.85988588E-02-9.64125534E-06 1.48314293E-09-8.55245930E-14 5.20664966E+03-7.81606882E+01-3.37870973E-01 7.22549356E-02-4.22499105E-05 1.14646497E-08-1.05306924E-12 1.29222803E+04 3.56636773E+01 C7H131-7 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1392.000 2.06754243E+01 2.89092236E-02-9.83222685E-06 1.52079763E-09-8.80072255E-14 6.59360193E+03-7.93564689E+01-8.56743712E-01 7.77195832E-02-5.19282134E-05 1.80146398E-08-2.57342002E-12 1.42410455E+04 3.68476570E+01 C7H132-4 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1390.000 2.02283723E+01 2.97818393E-02-1.01488201E-05 1.57187813E-09-9.10500113E-14 -2.71119859E+03-8.13824175E+01-1.50555526E+00 7.74758940E-02-4.92982536E-05 1.58761889E-08-2.05624822E-12 5.16084218E+03 3.64615905E+01 C7H132-5 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1379.000 2.00522952E+01 2.90375466E-02-9.79903704E-06 1.50841035E-09-8.70206514E-14 3.87993522E+03-7.59217636E+01 1.92192199E-01 6.87557473E-02-3.70909926E-05 8.46587268E-09-4.34596882E-13 1.14153061E+04 3.30601003E+01 C7H132-6 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1379.000 2.00522952E+01 2.90375466E-02-9.79903704E-06 1.50841035E-09-8.70206514E-14 3.87993522E+03-7.59217636E+01 1.92192199E-01 6.87557473E-02-3.70909926E-05 8.46587268E-09-4.34596882E-13 1.14153061E+04 3.30601003E+01 C7H132-7 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1390.000 2.02038608E+01 2.93419067E-02-9.98810855E-06 1.54578179E-09-8.94871756E-14 5.26290572E+03-7.71644519E+01-4.54324169E-01 7.47544837E-02-4.75103113E-05 1.54448401E-08-2.04403706E-12 1.27541308E+04 3.48464580E+01 C7H133-1 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1392.000 2.02595343E+01 2.94019199E-02-1.00312524E-05 1.55475333E-09-9.00969885E-14 5.30761197E+03-7.73922048E+01-1.28816625E+00 7.82039641E-02-5.22552162E-05 1.82427873E-08-2.64174309E-12 1.29867502E+04 3.89474921E+01 C7H133-5 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1392.000 2.02852000E+01 2.98429179E-02-1.01927262E-05 1.58100534E-09-9.16702393E-14 -2.66699385E+03-8.16175392E+01-2.36092106E+00 8.10269808E-02-5.41952361E-05 1.87683817E-08-2.67470772E-12 5.39652999E+03 4.06609319E+01 C7H133-6 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1384.000 2.00865333E+01 2.91250010E-02-9.85196347E-06 1.51881375E-09-8.77061669E-14 3.93905131E+03-7.60211796E+01-7.98785387E-01 7.29104436E-02-4.28677284E-05 1.18818540E-08-1.16315170E-12 1.16713874E+04 3.78868290E+01 C7H133-7 6/24/99 THERMC 7H 13 0 0G 300.000 5000.000 1392.000 2.02595343E+01 2.94019199E-02-1.00312524E-05 1.55475333E-09-9.00969885E-14 5.30761197E+03-7.73922048E+01-1.28816625E+00 7.82039641E-02-5.22552162E-05 1.82427873E-08-2.64174309E-12 1.29867502E+04 3.89474921E+01 C7H13O1-3 5/14/ 3 THERMC 7H 13O 1 0G 300.000 5000.000 1392.000 2.53923888E+01 2.67015459E-02-8.93162555E-06 1.36776722E-09-7.86546152E-14 -1.31992107E+04-1.04485728E+02-2.97186844E+00 9.50411096E-02-7.14210586E-05 2.71211636E-08-4.11210980E-12-3.69998874E+03 4.68736292E+01 C7H13O2-4 5/14/ 3 THERMC 7H 13O 1 0G 300.000 5000.000 1389.000 2.48888884E+01 2.71728188E-02-9.10354489E-06 1.39555380E-09-8.03103189E-14 -1.45377934E+04-1.02121928E+02-2.38155227E+00 9.12476056E-02-6.58712429E-05 2.39221243E-08-3.45819168E-12-5.23001862E+03 4.39988302E+01 C7H13O3-5 3/28/97 THERMC 7H 13O 1 0G 300.000 5000.000 1393.000 2.46614185E+01 2.71531970E-02-9.04971128E-06 1.38224414E-09-7.93365017E-14 -1.43669878E+04-1.00409922E+02-4.04764701E+00 9.94962377E-02-7.94282837E-05 3.26919568E-08-5.42561898E-12-5.01665573E+03 5.17524548E+01 C7H15O2-1 7/19/ 0 THERMC 7H 15O 2 0G 300.000 5000.000 1388.000 2.52656556E+01 3.50803587E-02-1.21178801E-05 1.89360806E-09-1.10354125E-13 -2.81113392E+04-1.00704794E+02 1.20888552E+00 8.84061706E-02-5.79861260E-05 2.03574689E-08-3.06460336E-12-1.92918765E+04 2.98117097E+01 C7H15O2-2 7/19/ 0 THERMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.60535640E+01 3.43831688E-02-1.18713247E-05 1.85450241E-09-1.08052399E-13 -3.06842095E+04-1.05407563E+02 3.55252917E-01 9.42381007E-02-6.66955106E-05 2.54795583E-08-4.13211105E-12-2.15795254E+04 3.29433435E+01 C7H15O2-3 7/19/ 0 THERMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.60535640E+01 3.43831688E-02-1.18713247E-05 1.85450241E-09-1.08052399E-13 -3.06842095E+04-1.05407563E+02 3.55252917E-01 9.42381007E-02-6.66955106E-05 2.54795583E-08-4.13211105E-12-2.15795254E+04 3.29433435E+01 C7H15O2-4 7/19/ 0 THERMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.60535640E+01 3.43831688E-02-1.18713247E-05 1.85450241E-09-1.08052399E-13 -3.06842095E+04-1.06097045E+02 3.55252917E-01 9.42381007E-02-6.66955106E-05 2.54795583E-08-4.13211105E-12-2.15795254E+04 3.22538619E+01 C7H15O2H-1 7/19/ 0 THERMC 7H 16O 2 0G 300.000 5000.000 1388.000 2.77185802E+01 3.52624458E-02-1.22144164E-05 1.91237244E-09-1.11602067E-13 -4.62267320E+04-1.14955409E+02 2.69178904E-01 9.71211877E-02-6.59765921E-05 2.35449071E-08-3.52849016E-12-3.63451119E+04 3.34740655E+01 C7H15O2H-2 7/19/ 0 THERMC 7H 16O 2 0G 300.000 5000.000 1390.000 2.85706023E+01 3.45345478E-02-1.19627321E-05 1.87305198E-09-1.09312061E-13 -4.88414901E+04-1.20064377E+02-6.02100521E-01 1.02885015E-01-7.43422840E-05 2.83646038E-08-4.51796063E-12-3.86269481E+04 3.67137899E+01 C7H15O2H-3 7/19/ 0 THERMC 7H 16O 2 0G 300.000 5000.000 1390.000 2.85706023E+01 3.45345478E-02-1.19627321E-05 1.87305198E-09-1.09312061E-13 -4.88414901E+04-1.20064377E+02-6.02100521E-01 1.02885015E-01-7.43422840E-05 2.83646038E-08-4.51796063E-12-3.86269481E+04 3.67137899E+01 C7H15O2H-4 7/19/ 0 THERMC 7H 16O 2 0G 300.000 5000.000 1390.000 2.85706023E+01 3.45345478E-02-1.19627321E-05 1.87305198E-09-1.09312061E-13 -4.88414901E+04-1.20753858E+02-6.02100521E-01 1.02885015E-01-7.43422840E-05 2.83646038E-08-4.51796063E-12-3.86269481E+04 3.60243083E+01 C7H15O-1 4/ 7/97 THERMC 7H 15O 1 0G 300.000 5000.000 1391.000 2.36489937E+01 3.38195865E-02-1.15717686E-05 1.79692111E-09-1.04265757E-13 -2.65280214E+04-9.48882293E+01-4.59189934E-01 8.74464647E-02-5.69015135E-05 1.92195908E-08-2.68753465E-12-1.78233113E+04 3.56475170E+01 C7H15O-2 4/ 7/97 THERMC 7H 15O 1 0G 300.000 5000.000 1395.000 2.43070968E+01 3.31267815E-02-1.13034023E-05 1.75198875E-09-1.01526945E-13 -2.88623481E+04-9.87360860E+01-1.09087925E+00 9.23217022E-02-6.44477835E-05 2.36808474E-08-3.61067567E-12-1.99926675E+04 3.77738325E+01 C7H15O-3 4/ 7/97 THERMC 7H 15O 1 0G 300.000 5000.000 1395.000 2.43070968E+01 3.31267815E-02-1.13034023E-05 1.75198875E-09-1.01526945E-13 -2.88623481E+04-9.87360860E+01-1.09087925E+00 9.23217022E-02-6.44477835E-05 2.36808474E-08-3.61067567E-12-1.99926675E+04 3.77738325E+01 C7H15O-4 4/ 7/97 THERMC 7H 15O 1 0G 300.000 5000.000 1395.000 2.43070968E+01 3.31267815E-02-1.13034023E-05 1.75198875E-09-1.01526945E-13 -2.88623481E+04-9.94255677E+01-1.09087925E+00 9.23217022E-02-6.44477835E-05 2.36808474E-08-3.61067567E-12-1.99926675E+04 3.70843509E+01 C7H14OOH1-2 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1383.000 2.72290222E+01 3.24921901E-02-1.11259758E-05 1.72928878E-09-1.00428326E-13 -2.24977070E+04-1.08901784E+02 1.11146206E+00 8.91595392E-02-5.67352382E-05 1.78890094E-08-2.22260206E-12-1.29868314E+04 3.29200052E+01 C7H14OOH1-3 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1383.000 2.72290222E+01 3.24921901E-02-1.11259758E-05 1.72928878E-09-1.00428326E-13 -2.24977070E+04-1.08901784E+02 1.11146206E+00 8.91595392E-02-5.67352382E-05 1.78890094E-08-2.22260206E-12-1.29868314E+04 3.29200052E+01 C7H14OOH1-4 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1383.000 2.72290222E+01 3.24921901E-02-1.11259758E-05 1.72928878E-09-1.00428326E-13 -2.24977070E+04-1.08901784E+02 1.11146206E+00 8.91595392E-02-5.67352382E-05 1.78890094E-08-2.22260206E-12-1.29868314E+04 3.29200052E+01 C7H14OOH1-5 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1383.000 2.72290222E+01 3.24921901E-02-1.11259758E-05 1.72928878E-09-1.00428326E-13 -2.24977070E+04-1.08901784E+02 1.11146206E+00 8.91595392E-02-5.67352382E-05 1.78890094E-08-2.22260206E-12-1.29868314E+04 3.29200052E+01 C7H14OOH2-1 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.81418167E+01 3.23810222E-02-1.12264895E-05 1.75881065E-09-1.02687430E-13 -2.37649208E+04-1.14883305E+02 1.51527018E-01 9.84303098E-02-7.20555130E-05 2.78535130E-08-4.48821028E-12-1.40125600E+04 3.53720992E+01 C7H14OOH2-3 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1389.000 2.74034778E+01 3.27527893E-02-1.12991770E-05 1.76444649E-09-1.02786945E-13 -2.48636651E+04-1.10201978E+02 8.49786005E-01 9.25107196E-02-6.25359834E-05 2.17880390E-08-3.12720398E-12-1.53640679E+04 3.32997487E+01 C7H14OOH2-4 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1389.000 2.74034778E+01 3.27527893E-02-1.12991770E-05 1.76444649E-09-1.02786945E-13 -2.48636651E+04-1.10201978E+02 8.49786005E-01 9.25107196E-02-6.25359834E-05 2.17880390E-08-3.12720398E-12-1.53640679E+04 3.32997487E+01 C7H14OOH2-5 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1389.000 2.74034778E+01 3.27527893E-02-1.12991770E-05 1.76444649E-09-1.02786945E-13

SUPPLEMENTAL MATERIAL-2.48636651E+04-1.10201978E+02 8.49786005E-01 9.25107196E-02-6.25359834E-05 2.17880390E-08-3.12720398E-12-1.53640679E+04 3.32997487E+01 C7H14OOH2-6 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1389.000 2.74034778E+01 3.27527893E-02-1.12991770E-05 1.76444649E-09-1.02786945E-13 -2.48636651E+04-1.10201978E+02 8.49786005E-01 9.25107196E-02-6.25359834E-05 2.17880390E-08-3.12720398E-12-1.53640679E+04 3.32997487E+01 C7H14OOH3-1 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.81418167E+01 3.23810222E-02-1.12264895E-05 1.75881065E-09-1.02687430E-13 -2.37649208E+04-1.14883305E+02 1.51527018E-01 9.84303098E-02-7.20555130E-05 2.78535130E-08-4.48821028E-12-1.40125600E+04 3.53720992E+01 C7H14OOH3-2 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1389.000 2.74034778E+01 3.27527893E-02-1.12991770E-05 1.76444649E-09-1.02786945E-13 -2.48636651E+04-1.10201978E+02 8.49786005E-01 9.25107196E-02-6.25359834E-05 2.17880390E-08-3.12720398E-12-1.53640679E+04 3.32997487E+01 C7H14OOH3-4 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1389.000 2.74034778E+01 3.27527893E-02-1.12991770E-05 1.76444649E-09-1.02786945E-13 -2.48636651E+04-1.10201978E+02 8.49786005E-01 9.25107196E-02-6.25359834E-05 2.17880390E-08-3.12720398E-12-1.53640679E+04 3.32997487E+01 C7H14OOH3-5 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1389.000 2.74034778E+01 3.27527893E-02-1.12991770E-05 1.76444649E-09-1.02786945E-13 -2.48636651E+04-1.10201978E+02 8.49786005E-01 9.25107196E-02-6.25359834E-05 2.17880390E-08-3.12720398E-12-1.53640679E+04 3.32997487E+01 C7H14OOH3-6 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1389.000 2.74034778E+01 3.27527893E-02-1.12991770E-05 1.76444649E-09-1.02786945E-13 -2.48636651E+04-1.10201978E+02 8.49786005E-01 9.25107196E-02-6.25359834E-05 2.17880390E-08-3.12720398E-12-1.53640679E+04 3.32997487E+01 C7H14OOH3-7 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.81418167E+01 3.23810222E-02-1.12264895E-05 1.75881065E-09-1.02687430E-13 -2.37649208E+04-1.14883305E+02 1.51527018E-01 9.84303098E-02-7.20555130E-05 2.78535130E-08-4.48821028E-12-1.40125600E+04 3.53720992E+01 C7H14OOH4-1 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.81418167E+01 3.23810222E-02-1.12264895E-05 1.75881065E-09-1.02687430E-13 -2.37649208E+04-1.15572787E+02 1.51527018E-01 9.84303098E-02-7.20555130E-05 2.78535130E-08-4.48821028E-12-1.40125600E+04 3.46826176E+01 C7H14OOH4-2 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1389.000 2.74034778E+01 3.27527893E-02-1.12991770E-05 1.76444649E-09-1.02786945E-13 -2.48636651E+04-1.10891460E+02 8.49786005E-01 9.25107196E-02-6.25359834E-05 2.17880390E-08-3.12720398E-12-1.53640679E+04 3.26102671E+01 C7H14OOH4-3 7/19/0 THERMC 7H 15O 2 0G 300.000 5000.000 1389.000 2.74034778E+01 3.27527893E-02-1.12991770E-05 1.76444649E-09-1.02786945E-13 -2.48636651E+04-1.10891460E+02 8.49786005E-01 9.25107196E-02-6.25359834E-05 2.17880390E-08-3.12720398E-12-1.53640679E+04 3.26102671E+01 C7H14OOH1-2O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1388.000 3.20144349E+01 3.40055996E-02-1.18415856E-05 1.86060347E-09-1.08851012E-13 -4.27171859E+04-1.31118243E+02 1.89718004E+00 1.06229796E-01-8.02770218E-05 3.23649093E-08-5.45850472E-12-3.22790229E+04 3.02474612E+01 C7H14OOH1-3O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1388.000 3.20144349E+01 3.40055996E-02-1.18415856E-05 1.86060347E-09-1.08851012E-13 -4.27171859E+04-1.31118243E+02 1.89718004E+00 1.06229796E-01-8.02770218E-05 3.23649093E-08-5.45850472E-12-3.22790229E+04 3.02474612E+01 C7H14OOH1-4O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1388.000 3.20144349E+01 3.40055996E-02-1.18415856E-05 1.86060347E-09-1.08851012E-13 -4.27171859E+04-1.31118243E+02 1.89718004E+00 1.06229796E-01-8.02770218E-05 3.23649093E-08-5.45850472E-12-3.22790229E+04 3.02474612E+01 C7H14OOH1-5O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1388.000 3.20144349E+01 3.40055996E-02-1.18415856E-05 1.86060347E-09-1.08851012E-13 -4.27171859E+04-1.31118243E+02 1.89718004E+00 1.06229796E-01-8.02770218E-05 3.23649093E-08-5.45850472E-12-3.22790229E+04 3.02474612E+01 C7H14OOH2-1O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1388.000 3.20144349E+01 3.40055996E-02-1.18415856E-05 1.86060347E-09-1.08851012E-13 -4.27171859E+04-1.31118243E+02 1.89718004E+00 1.06229796E-01-8.02770218E-05 3.23649093E-08-5.45850472E-12-3.22790229E+04 3.02474612E+01 C7H14OOH2-3O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.28358296E+01 3.32767285E-02-1.15833285E-05 1.81958638E-09-1.06434419E-13 -4.52873003E+04-1.35975710E+02 1.40912479E+00 1.10720834E-01-8.71178075E-05 3.63662749E-08-6.28350689E-12-3.46304788E+04 3.16223383E+01 C7H14OOH2-4O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.28358296E+01 3.32767285E-02-1.15833285E-05 1.81958638E-09-1.06434419E-13 -4.52873003E+04-1.35975710E+02 1.40912479E+00 1.10720834E-01-8.71178075E-05 3.63662749E-08-6.28350689E-12-3.46304788E+04 3.16223383E+01 C7H14OOH2-5O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.28358296E+01 3.32767285E-02-1.15833285E-05 1.81958638E-09-1.06434419E-13 -4.52873003E+04-1.35975710E+02 1.40912479E+00 1.10720834E-01-8.71178075E-05 3.63662749E-08-6.28350689E-12-3.46304788E+04 3.16223383E+01 C7H14OOH2-6O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.28358296E+01 3.32767285E-02-1.15833285E-05 1.81958638E-09-1.06434419E-13 -4.52873003E+04-1.35975710E+02 1.40912479E+00 1.10720834E-01-8.71178075E-05 3.63662749E-08-6.28350689E-12-3.46304788E+04 3.16223383E+01 C7H14OOH3-1O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1388.000 3.20144349E+01 3.40055996E-02-1.18415856E-05 1.86060347E-09-1.08851012E-13 -4.27171859E+04-1.31118243E+02 1.89718004E+00 1.06229796E-01-8.02770218E-05 3.23649093E-08-5.45850472E-12-3.22790229E+04 3.02474612E+01 C7H14OOH3-2O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.28358296E+01 3.32767285E-02-1.15833285E-05 1.81958638E-09-1.06434419E-13 -4.52873003E+04-1.35975710E+02 1.40912479E+00 1.10720834E-01-8.71178075E-05 3.63662749E-08-6.28350689E-12-3.46304788E+04 3.16223383E+01 C7H14OOH3-4O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.28358296E+01 3.32767285E-02-1.15833285E-05 1.81958638E-09-1.06434419E-13 -4.52873003E+04-1.35975710E+02 1.40912479E+00 1.10720834E-01-8.71178075E-05 3.63662749E-08-6.28350689E-12-3.46304788E+04 3.16223383E+01 C7H14OOH3-5O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.28358296E+01 3.32767285E-02-1.15833285E-05 1.81958638E-09-1.06434419E-13 -4.52873003E+04-1.35975710E+02 1.40912479E+00 1.10720834E-01-8.71178075E-05 3.63662749E-08-6.28350689E-12-3.46304788E+04 3.16223383E+01 C7H14OOH3-6O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.28358296E+01 3.32767285E-02-1.15833285E-05 1.81958638E-09-1.06434419E-13 -4.52873003E+04-1.35975710E+02 1.40912479E+00 1.10720834E-01-8.71178075E-05 3.63662749E-08-6.28350689E-12-3.46304788E+04 3.16223383E+01 C7H14OOH3-7O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1388.000 3.20144349E+01 3.40055996E-02-1.18415856E-05 1.86060347E-09-1.08851012E-13 -4.27171859E+04-1.31118243E+02 1.89718004E+00 1.06229796E-01-8.02770218E-05 3.23649093E-08-5.45850472E-12-3.22790229E+04 3.02474612E+01 C7H14OOH4-1O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1388.000 3.20144349E+01 3.40055996E-02-1.18415856E-05 1.86060347E-09-1.08851012E-13 -4.27171859E+04-1.31118243E+02 1.89718004E+00 1.06229796E-01-8.02770218E-05 3.23649093E-08-5.45850472E-12-3.22790229E+04 3.02474612E+01 C7H14OOH4-2O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.28358296E+01 3.32767285E-02-1.15833285E-05 1.81958638E-09-1.06434419E-13 -4.52873003E+04-1.35975710E+02 1.40912479E+00 1.10720834E-01-8.71178075E-05 3.63662749E-08-6.28350689E-12-3.46304788E+04 3.16223383E+01 C7H14OOH4-3O2 7/19/0 TRMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.28358296E+01 3.32767285E-02-1.15833285E-05 1.81958638E-09-1.06434419E-13 -4.52873003E+04-1.35975710E+02 1.40912479E+00 1.10720834E-01-8.71178075E-05 3.63662749E-08-6.28350689E-12-3.46304788E+04 3.16223383E+01 C7H14O1-2 7/19/ 0 THERMC 7H 14O 1 0G 300.000 5000.000 1394.000 2.35147269E+01 3.21674287E-02-1.10803549E-05 1.72835023E-09-1.00601041E-13 -3.33352322E+04-9.74257302E+01-3.65270763E+00 9.70546060E-02-7.14482297E-05 2.77781632E-08-4.48128551E-12-2.39799254E+04 4.80801402E+01 C7H14O1-3 7/19/ 0 THERMC 7H 14O 1 0G 300.000 5000.000 1395.000 2.26918916E+01 3.32510472E-02-1.14457765E-05 1.78455535E-09-1.03841112E-13 -3.41591419E+04-9.46346563E+01-5.50036450E+00 1.00155088E-01-7.29935857E-05 2.79344270E-08-4.42245696E-12-2.44292287E+04 5.64768482E+01 C7H14O1-4 7/19/ 0 THERMC 7H 14O 1 0G 300.000 5000.000 1398.000 2.20530468E+01 3.40541230E-02-1.16873054E-05 1.81862696E-09-1.05680270E-13 -4.41822326E+04-9.24677192E+01-6.56017746E+00 1.00694520E-01-7.10466567E-05 2.59142094E-08-3.86849843E-12-3.42312152E+04 6.12629813E+01 C7H14O1-5 7/19/ 0 THERMC 7H 14O 1 0G 300.000 5000.000 1394.000 2.27681049E+01 3.42097414E-02-1.18172110E-05 1.84695360E-09-1.07658833E-13 -4.68159558E+04-1.01833212E+02-7.14726345E+00 1.02606685E-01-7.12373028E-05 2.52354809E-08-3.63484271E-12-3.62821855E+04 5.93513033E+01 C7H14O2-3 7/19/ 0 THERMC 7H 14O 1 0G 300.000 5000.000 1397.000 2.44676947E+01 3.13508938E-02-1.07981336E-05 1.68432141E-09-9.80409528E-14 -3.58726267E+04-1.03164928E+02-4.35014619E+00 1.01435718E-01-7.70541034E-05 3.06059134E-08-4.99101265E-12-2.61218264E+04 5.06557622E+01 C7H14O2-4 7/19/ 0 THERMC 7H 14O 1 0G 300.000 5000.000 1399.000 2.32692731E+01 3.25585391E-02-1.11624906E-05 1.73573658E-09-1.00813215E-13 -3.64349664E+04-9.79457278E+01-5.39477206E+00 1.01846577E-01-7.60046236E-05 2.96538020E-08-4.74854370E-12-2.67118295E+04 5.51731319E+01 C7H14O2-5 7/19/ 0 THERMC 7H 14O 1 0G 300.000 5000.000 1399.000 2.26707471E+01 3.34803352E-02-1.14785395E-05 1.78491428E-09-1.03671828E-13 -4.65307741E+04-9.61517004E+01-7.24295043E+00 1.05687256E-01-7.87952366E-05 3.05899677E-08-4.86103477E-12-3.63891669E+04 6.36525527E+01 C7H14O2-6 7/19/ 0 THERMC 7H 14O 1 0G 300.000 5000.000 1396.000 2.33833361E+01 3.36382957E-02-1.16092281E-05 1.81335441E-09-1.05656460E-13 -4.91623271E+04-1.05500759E+02-7.82017858E+00 1.07564943E-01-7.89396005E-05 2.98830915E-08-4.62102018E-12-3.84419001E+04 6.16931674E+01 C7H14O3-4 7/19/ 0 THERMC 7H 14O 1 0G 300.000 5000.000 1397.000 2.44676947E+01 3.13508938E-02-1.07981336E-05 1.68432141E-09-9.80409528E-14 -3.58726267E+04-1.03164928E+02-4.35014619E+00 1.01435718E-01-7.70541034E-05 3.06059134E-08-4.99101265E-12-2.61218264E+04 5.06557622E+01 C7H14O3-5 7/19/ 0 THERMC 7H 14O 1 0G 300.000 5000.000 1399.000 2.32692731E+01 3.25585391E-02-1.11624906E-05 1.73573658E-09-1.00813215E-13 -3.64349664E+04-9.79457278E+01-5.39477206E+00 1.01846577E-01-7.60046236E-05 2.96538020E-08-4.74854370E-12-2.67118295E+04 5.51731319E+01 NC7KET12 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1387.000 3.14039860E+01 2.85485198E-02-9.69585695E-06 1.50017009E-09-8.68909491E-14 -5.74044717E+04-1.31576613E+02-1.01240540E+00 1.08525210E-01-8.59990884E-05 3.49272961E-08-5.73789850E-12-4.66314955E+04 4.09175088E+01 NC7KET13 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1388.000 2.90744507E+01 3.17177458E-02-1.10262646E-05 1.73053608E-09-1.01161699E-13 -5.82345477E+04-1.18064324E+02 2.21629328E+00 9.47373762E-02-6.90473651E-05 2.67820400E-08-4.36392181E-12-4.87965510E+04 2.63157133E+01 NC7KET14 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1388.000 2.90744507E+01 3.17177458E-02-1.10262646E-05 1.73053608E-09-1.01161699E-13 -5.82345477E+04-1.18064324E+02 2.21629328E+00 9.47373762E-02-6.90473651E-05 2.67820400E-08-4.36392181E-12-4.87965510E+04 2.63157133E+01 NC7KET15 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1388.000 2.90744507E+01 3.17177458E-02-1.10262646E-05 1.73053608E-09-1.01161699E-13 -5.82345477E+04-1.18064324E+02 2.21629328E+00 9.47373762E-02-6.90473651E-05 2.67820400E-08-4.36392181E-12-4.87965510E+04 2.63157133E+01 NC7KET21 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1385.000 3.07082732E+01 2.92465419E-02-9.95807579E-06 1.54315782E-09-8.94718150E-14 -5.87615592E+04-1.27058904E+02-9.64230115E-01 1.08158991E-01-8.67775775E-05 3.61807459E-08-6.14661796E-12-4.82404885E+04 4.13251144E+01 NC7KET23 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1388.000 3.05981614E+01 2.97258855E-02-1.01972578E-05 1.58732411E-09-9.22942417E-14 -6.09638920E+04-1.27837876E+02-1.45570671E+00 1.08772384E-01-8.59757426E-05 3.51095315E-08-5.83436499E-12-5.02602030E+04 4.28185431E+01 NC7KET24 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1387.000 2.88330388E+01 3.20168096E-02-1.11508456E-05 1.75226159E-09-1.02520451E-13 -6.20142474E+04-1.17499704E+02 1.52936692E+00 9.58173466E-02-6.96688520E-05 2.69540382E-08-4.38728126E-12-5.23839542E+04 2.93851334E+01 NC7KET25 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1387.000 2.88330388E+01 3.20168096E-02-1.11508456E-05 1.75226159E-09-1.02520451E-13 -6.20142474E+04-1.17499704E+02 1.52936692E+00 9.58173466E-02-6.96688520E-05 2.69540382E-08-4.38728126E-12-5.23839542E+04 2.93851334E+01 NC7KET26 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1387.000 2.88330388E+01 3.20168096E-02-1.11508456E-05 1.75226159E-09-1.02520451E-13 -6.20142474E+04-1.17499704E+02 1.52936692E+00 9.58173466E-02-6.96688520E-05 2.69540382E-08-4.38728126E-12-5.23839542E+04 2.93851334E+01 NC7KET31 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1384.000 2.80739929E+01 3.26743194E-02-1.13798765E-05 1.78819290E-09-1.04618326E-13 -5.95401535E+04-1.12628648E+02 2.77522939E+00 9.05308437E-02-6.36476024E-05 2.42107778E-08-3.94769763E-12-5.04144221E+04 2.40464052E+01 NC7KET32 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1385.000 3.09165578E+01 2.91258044E-02-9.92861588E-06 1.53981152E-09-8.93271341E-14 -6.11708347E+04-1.29264593E+02-9.94514343E-01 1.08762100E-01-8.76137740E-05 3.66478182E-08-6.24244946E-12-5.05819016E+04 4.03445313E+01 NC7KET34 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1385.000 3.09165578E+01 2.91258044E-02-9.92861588E-06 1.53981152E-09-8.93271341E-14 -6.11708347E+04-1.29264593E+02-9.94514343E-01 1.08762100E-01-8.76137740E-05 3.66478182E-08-6.24244946E-12-5.05819016E+04 4.03445313E+01 NC7KET35 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1387.000 2.88330388E+01 3.20168096E-02-1.11508456E-05 1.75226159E-09-1.02520451E-13 -6.20142474E+04-1.17499704E+02 1.52936692E+00 9.58173466E-02-6.96688520E-05 2.69540382E-08-4.38728126E-12-5.23839542E+04 2.93851334E+01 NC7KET36 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1387.000 2.88330388E+01 3.20168096E-02-1.11508456E-05 1.75226159E-09-1.02520451E-13 -6.20142474E+04-1.17499704E+02 1.52936692E+00 9.58173466E-02-6.96688520E-05 2.69540382E-08-4.38728126E-12-5.23839542E+04 2.93851334E+01 NC7KET37 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1384.000 2.80739929E+01 3.26743194E-02-1.13798765E-05 1.78819290E-09-1.04618326E-13 -5.95401535E+04-1.12628648E+02 2.77522939E+00 9.05308437E-02-6.36476024E-05

SUPPLEMENTAL MATERIAL 2.42107778E-08-3.94769763E-12-5.04144221E+04 2.40464052E+01 NC7KET41 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1384.000 2.80739929E+01 3.26743194E-02-1.13798765E-05 1.78819290E-09-1.04618326E-13 -5.95401535E+04-1.12628648E+02 2.77522939E+00 9.05308437E-02-6.36476024E-05 2.42107778E-08-3.94769763E-12-5.04144221E+04 2.40464052E+01 NC7KET42 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1386.000 2.86572867E+01 3.21567908E-02-1.11961570E-05 1.75895000E-09-1.02891960E-13 -6.20252988E+04-1.16135256E+02 2.32269738E+00 9.45160149E-02-6.99057179E-05 2.79772916E-08-4.74244431E-12-5.27586830E+04 2.53458269E+01 NC7KET43 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1386.000 2.86572867E+01 3.21567908E-02-1.11961570E-05 1.75895000E-09-1.02891960E-13 -6.20252988E+04-1.16135256E+02 2.32269738E+00 9.45160149E-02-6.99057179E-05 2.79772916E-08-4.74244431E-12-5.27586830E+04 2.53458269E+01 C7H14OH-1 6/25/99 THERMC 7H 15O 1 0G 300.000 5000.000 1376.000 2.41265675E+01 3.16637088E-02-1.05671043E-05 1.61536314E-09-9.27674815E-14 -2.95485867E+04-9.42377369E+01 4.58848577E-01 8.04446771E-02-4.57034176E-05 1.14685073E-08-8.17742081E-13-2.07641264E+04 3.50408521E+01 C7H14OH-2 6/25/99 THERMC 7H 15O 1 0G 300.000 5000.000 1390.000 2.38036547E+01 3.25612587E-02-1.09916297E-05 1.69186772E-09-9.75842145E-14 -3.14956023E+04-9.26354590E+01-6.17451781E-02 8.52264839E-02-5.42481745E-05 1.73728776E-08-2.20758857E-12-2.29210338E+04 3.65945984E+01 C7H14OH-3 6/25/99 THERMC 7H 15O 1 0G 300.000 5000.000 1390.000 2.38036547E+01 3.25612587E-02-1.09916297E-05 1.69186772E-09-9.75842145E-14 -3.14956023E+04-9.26354590E+01-6.17451781E-02 8.52264839E-02-5.42481745E-05 1.73728776E-08-2.20758857E-12-2.29210338E+04 3.65945984E+01 O2C7H14OH-1 6/25/99 THRMC 7H 15O 3 0G 300.000 5000.000 1395.000 2.69431812E+01 3.51661203E-02-1.20111248E-05 1.86268617E-09-1.07974911E-13 -4.90880404E+04-1.05078319E+02 2.34060326E+00 9.23428863E-02-6.37138459E-05 2.36026902E-08-3.68902757E-12-4.04140401E+04 2.73239434E+01 O2C7H14OH-2 6/25/99 THRMC 7H 15O 3 0G 300.000 5000.000 1396.000 2.78711248E+01 3.44298705E-02-1.17690678E-05 1.82617826E-09-1.05901891E-13 -5.15690694E+04-1.10657303E+02 1.43173891E+00 9.81681859E-02-7.19259300E-05 2.82501348E-08-4.63278447E-12-4.25022305E+04 3.07742185E+01 O2C7H14OH-3 6/25/99 THRMC 7H 15O 3 0G 300.000 5000.000 1396.000 2.78711248E+01 3.44298705E-02-1.17690678E-05 1.82617826E-09-1.05901891E-13 -5.15690694E+04-1.10657303E+02 1.43173891E+00 9.81681859E-02-7.19259300E-05 2.82501348E-08-4.63278447E-12-4.25022305E+04 3.07742185E+01 NC5H11CHO 2/29/96 THERMC 6H 12O 1 0G 300.000 5000.000 1384.000 1.98891043E+01 2.71869340E-02-9.27391515E-06 1.43744158E-09-8.33090761E-14 -3.97523444E+04-7.60741671E+01 1.37517192E+00 6.65669689E-02-4.04423050E-05 1.23836270E-08-1.52905857E-12-3.28740986E+04 2.48343934E+01 NC5H11CO 2/29/96 THERMC 6H 11O 1 0G 300.000 5000.000 1383.000 1.94783812E+01 2.50466029E-02-8.54861346E-06 1.32557944E-09-7.68503296E-14 -2.07923937E+04-7.21995578E+01 2.14479069E+00 6.17863563E-02-3.74134690E-05 1.13283795E-08-1.36917698E-12-1.43451172E+04 2.23128045E+01 C5H10CHO-1 2/29/96 THERMC 6H 11O 1 0G 300.000 5000.000 1383.000 1.94701427E+01 2.50490154E-02-8.54838759E-06 1.32543025E-09-7.68369090E-14 -1.46878327E+04-7.09736169E+01 2.15377345E+00 6.19684203E-02-3.78904723E-05 1.17022892E-08-1.46276094E-12-8.26278569E+03 2.33779159E+01 C5H10CHO-2 2/29/96 THERMC 6H 11O 1 0G 300.000 5000.000 1371.000 2.01227062E+01 2.38797102E-02-8.02929509E-06 1.23389172E-09-7.11284276E-14 -1.74161761E+04-7.48168825E+01 4.16999842E-01 6.37354262E-02-3.53661717E-05 7.90793428E-09-2.83991537E-13-1.00633239E+04 3.30278698E+01 C5H10CHO-3 2/29/96 THERMC 6H 11O 1 0G 300.000 5000.000 1371.000 2.01227062E+01 2.38797102E-02-8.02929509E-06 1.23389172E-09-7.11284276E-14 -1.74161761E+04-7.48168825E+01 4.16999842E-01 6.37354262E-02-3.53661717E-05 7.90793428E-09-2.83991537E-13-1.00633239E+04 3.30278698E+01 C5H10CHO-4 2/29/96 THERMC 6H 11O 1 0G 300.000 5000.000 1371.000 2.01227062E+01 2.38797102E-02-8.02929509E-06 1.23389172E-09-7.11284276E-14 -1.74161761E+04-7.48168825E+01 4.16999842E-01 6.37354262E-02-3.53661717E-05 7.90793428E-09-2.83991537E-13-1.00633239E+04 3.30278698E+01 C5H10CHO-5 2/29/96 THERMC 6H 11O 1 0G 300.000 5000.000 1395.000 2.02669246E+01 2.47914857E-02-8.54953747E-06 1.33477274E-09-7.77453379E-14 -2.07889535E+04-7.93060747E+01-1.26556708E+00 7.36551339E-02-5.04263913E-05 1.74734247E-08-2.44116609E-12-1.31838221E+04 3.68187516E+01 C4H7CHO1-4 5/ 6/96 THERMC 5H 8O 1 0G 300.000 5000.000 1379.000 1.59299730E+01 1.84432887E-02-6.21997362E-06 9.57537306E-10-5.52580126E-14 -1.98311071E+04-5.51771737E+01 1.30688261E+00 5.07911858E-02-3.31509980E-05 1.10391295E-08-1.49578391E-12-1.45595753E+04 2.40234219E+01 C4H7CO1-4 5/ 6/96 THERMC 5H 7O 1 0G 300.000 5000.000 1378.000 1.54637001E+01 1.64158685E-02-5.54672481E-06 8.55055295E-10-4.93928750E-14 -8.55858619E+02-5.10065564E+01 2.09347005E+00 4.59484008E-02-3.00651488E-05 9.99306335E-09-1.34709811E-12 3.96659370E+03 2.14210959E+01 C4H6CHO1-43 5/ 6/96 THRMC 5H 7O 1 0G 300.000 5000.000 1382.000 1.54178855E+01 1.71672536E-02-5.95214751E-06 9.32713368E-10-5.44705237E-14 -2.75958461E+03-5.37764772E+01 1.13728412E+00 4.85677415E-02-3.21395914E-05 1.08714802E-08-1.51624448E-12 2.44080824E+03 2.36917499E+01 C4H6CHO1-44 5/ 6/96 THRMC 5H 7O 1 0G 300.000 5000.000 1390.000 1.54721595E+01 1.70164879E-02-5.87513255E-06 9.17941359E-10-5.34945363E-14 4.99122207E+02-5.31445505E+01 7.50037894E-01 5.14805714E-02-3.71071056E-05 1.40009579E-08-2.19006703E-12 5.63542979E+03 2.59488465E+01 NC4H9COCH3 2/22/96 THERMC 6H 12O 1 0G 300.000 5000.000 1384.000 1.93396071E+01 2.80294129E-02-9.64367685E-06 1.50309259E-09-8.74431874E-14 -4.34308987E+04-7.38144199E+01 1.04489132E+00 6.62869241E-02-3.94849702E-05 1.19083422E-08-1.47157105E-12-3.65200950E+04 2.62126637E+01 NC4H9COCH2 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1387.000 1.98575871E+01 2.52406370E-02-8.72522623E-06 1.36422047E-09-7.95374883E-14 -2.20531958E+04-7.71140999E+01 6.57240675E-01 6.91820222E-02-4.79956182E-05 1.78114857E-08-2.80456388E-12-1.51806661E+04 2.65180216E+01 C4H8COCH3-1 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1384.000 1.89006813E+01 2.59288818E-02-8.93525037E-06 1.39416390E-09-8.11664734E-14 -1.83595544E+04-6.85988070E+01 1.83079991E+00 6.16869509E-02-3.69733811E-05 1.12792095E-08-1.42170745E-12-1.19106373E+04 2.47213709E+01 C4H8COCH3-2 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1365.000 1.92472410E+01 2.47394219E-02-8.34917480E-06 1.28606717E-09-7.42515416E-14 -1.98964461E+04-7.00732125E+01 2.32442247E+00 5.60360489E-02-2.62897892E-05 3.55349257E-09 4.62560403E-13-1.32203258E+04 2.36967419E+01 C4H8COCH3-3 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1365.000 1.92472410E+01 2.47394219E-02-8.34917480E-06 1.28606717E-09-7.42515416E-14 -1.98964461E+04-7.00732125E+01 2.32442247E+00 5.60360489E-02-2.62897892E-05 3.55349257E-09 4.62560403E-13-1.32203258E+04 2.36967419E+01 C4H8COCH3-4 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1387.000 1.94544114E+01 2.56278187E-02-8.86916402E-06 1.38780777E-09-8.09574343E-14 -2.33097365E+04-7.49578200E+01 4.64936924E-01 6.68009275E-02-4.26203243E-05 1.39372398E-08-1.88407814E-12-1.63159454E+04 2.82932537E+01 C4H7OOH1-4 4/1/96 THERMC 4H 8O 2 0G 300.000 5000.000 1393.000 1.66978343E+01 1.80578399E-02-6.22476839E-06 9.71479434E-10-5.65686551E-14 -1.85344720E+04-5.76609547E+01 1.79804670E+00 5.23302551E-02-3.64638246E-05 1.31971888E-08-1.97165993E-12-1.32846748E+04 2.25862038E+01 C4H7O1-4 4/ 1/96 THERMC 4H 7O 1 0G 300.000 5000.000 1393.000 1.31417783E+01 1.64166051E-02-5.56949199E-06 8.60114769E-10-4.97230006E-14 1.67967537E+03-4.16160087E+01-2.92647947E-01 4.83149119E-02-3.48133220E-05 1.31921468E-08-2.06485553E-12 6.29978883E+03 3.03629978E+01 C5H9OOH1-4 3/27/97 THERMC 5H 10O 2 0G 300.000 5000.000 1397.000 2.02179950E+01 2.21511744E-02-7.60711244E-06 1.18420679E-09-6.88331594E-14 -2.44297406E+04-7.58287543E+01 7.67782330E-01 6.93519317E-02-5.21650213E-05 2.06237355E-08-3.35844189E-12-1.78318101E+04 2.80373555E+01 C5H9O1-4 3/28/97 THERMC 5H 9O 1 0G 300.000 5000.000 1398.000 1.66809382E+01 2.07591828E-02-7.09289768E-06 1.10031617E-09-6.37992567E-14 -4.67568455E+03-5.95056483E+01-8.53018802E-01 6.41880432E-02-4.91931508E-05 2.00188214E-08-3.35963237E-12 1.19509504E+03 3.38333616E+01 C5H9OOH1-5 3/27/97 THERMC 5H 10O 2 0G 300.000 5000.000 1393.000 1.98575596E+01 2.25572969E-02-7.76951451E-06 1.21189491E-09-7.05404248E-14 -2.26275637E+04-7.31968346E+01 1.65166493E+00 6.41855434E-02-4.42152137E-05 1.58117718E-08-2.33469388E-12-1.61856012E+04 2.49485316E+01 C5H9O1-5 3/28/97 THERMC 5H 9O 1 0G 300.000 5000.000 1394.000 1.62564642E+01 2.10561226E-02-7.18323965E-06 1.11331434E-09-6.45162851E-14 -2.41003213E+03-5.69404193E+01-6.08379884E-01 6.09139191E-02-4.36395120E-05 1.64966933E-08-2.58694444E-12 3.42450558E+03 3.35104649E+01 C6H11OOH1-4 3/27/97 THRMC 6H 12O 2 0G 300.000 5000.000 1397.000 2.33879230E+01 2.66182814E-02-9.13553672E-06 1.42154300E-09-8.26043195E-14 -2.85211117E+04-9.14098376E+01 6.08693415E-01 8.12533376E-02-5.99544347E-05 2.32306975E-08-3.71302106E-12-2.07306507E+04 3.04600742E+01 C6H11O1-4 3/28/97 THERMC 6H 11O 1 0G 300.000 5000.000 1397.000 1.99304018E+01 2.50878998E-02-8.55881248E-06 1.32642733E-09-7.68596330E-14 -8.79248519E+03-7.55242129E+01-1.17611678E+00 7.67820021E-02-5.79189808E-05 2.31283510E-08-3.81018248E-12-1.67830272E+03 3.70214234E+01 C6H11OOH1-5 3/27/97 THRMC 6H 12O 2 0G 300.000 5000.000 1397.000 2.33879230E+01 2.66182814E-02-9.13553672E-06 1.42154300E-09-8.26043195E-14 -2.85211117E+04-9.14098376E+01 6.08693415E-01 8.12533376E-02-5.99544347E-05 2.32306975E-08-3.71302106E-12-2.07306507E+04 3.04600742E+01 C6H11O1-5 3/28/97 THERMC 6H 11O 1 0G 300.000 5000.000 1397.000 1.99304018E+01 2.50878998E-02-8.55881248E-06 1.32642733E-09-7.68596330E-14 -8.79248519E+03-7.55242129E+01-1.17611678E+00 7.67820021E-02-5.79189808E-05 2.31283510E-08-3.81018248E-12-1.67830272E+03 3.70214234E+01 C5H91-1 5/14/ 3 THERMC 5H 9 0 0G 300.000 5000.000 1393.000 1.44574345E+01 2.00072707E-02-6.81378895E-06 1.05474728E-09-6.10665440E-14 2.00271156E+04-4.97833624E+01-1.68848603E-01 5.40218667E-02-3.74233337E-05 1.37866431E-08-2.12590460E-12 2.51604761E+04 2.88873177E+01 C4H7CHO1-1 2/22/96 THERMC 5H 8O 1 0G 300.000 5000.000 1393.000 1.65147810E+01 1.86176385E-02-6.41423546E-06 1.00074444E-09-5.82623258E-14 -2.45132738E+04-6.08626797E+01-8.96311479E-01 6.16639930E-02-4.81456435E-05 1.98018086E-08-3.35010063E-12-1.86685108E+04 3.18639054E+01 C4H7CO1-1 2/22/96 THERMC 5H 7O 1 0G 300.000 5000.000 1394.000 1.59313061E+01 1.65161742E-02-5.67719248E-06 8.84327967E-10-5.14250392E-14 -8.36367262E+03-5.69425937E+01 4.61430370E-01 5.62940371E-02-4.61644186E-05 2.00772412E-08-3.57227308E-12-3.30150514E+03 2.49394919E+01 C4H6CHO1-14 2/22/96 TRMC 5H 7O 1 0G 300.000 5000.000 1393.000 1.60679011E+01 1.65205734E-02-5.70629506E-06 8.91819150E-10-5.19829213E-14 5.61658536E+02-5.56047479E+01-9.37897914E-02 5.69789312E-02-4.55153233E-05 1.91029934E-08-3.28540832E-12 5.93885740E+03 3.02936035E+01 C4H6CHO1-13 2/22/96 TRMC 5H 7O 1 0G 300.000 5000.000 1388.000 1.65957737E+01 1.64087623E-02-5.74432894E-06 9.05904509E-10-5.31381430E-14 -7.68324332E+03-6.28091961E+01-8.68106067E-01 5.81156028E-02-4.44075851E-05 1.74858999E-08-2.82132259E-12-1.68831658E+03 3.06969623E+01 NC3H7COC2H5 2/22/96 THRMC 6H 12O 1 0G 300.000 5000.000 1378.000 1.99627893E+01 2.68078451E-02-9.08527269E-06 1.40288330E-09-8.11176345E-14 -4.37215719E+04-7.68702768E+01 1.28300489E+00 6.70849881E-02-4.19984982E-05 1.36804265E-08-1.86987155E-12-3.68039430E+04 2.48054841E+01 C3H6COC2H5-1 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1380.000 1.92391148E+01 2.51659147E-02-8.57508083E-06 1.32847255E-09-7.69774808E-14 -1.85404890E+04-7.00617026E+01 2.08958703E+00 6.24878115E-02-3.97257078E-05 1.33752941E-08-1.92193795E-12-1.21992557E+04 2.32035207E+01 C3H6COC2H5-2 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1369.000 1.91083648E+01 2.49004438E-02-8.41246692E-06 1.29661383E-09-7.48882792E-14 -1.99334270E+04-6.89565390E+01 2.83974334E+00 5.59471569E-02-2.81954889E-05 5.56103221E-09-1.03163981E-13-1.35531569E+04 2.09458274E+01 C3H6COC2H5-3 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1386.000 1.93409644E+01 2.56927090E-02-8.88365538E-06 1.38917272E-09-8.09982255E-14 -2.33416177E+04-7.39480531E+01 8.23830406E-01 6.74626897E-02-4.57147359E-05 1.66707586E-08-2.60416740E-12-1.66263615E+04 2.62565174E+01 NC3H7COC2H4P 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1380.000 1.92391148E+01 2.51659147E-02-8.57508083E-06 1.32847255E-09-7.69774808E-14 -1.85404890E+04-7.00617026E+01 2.08958703E+00 6.24878115E-02-3.97257078E-05 1.33752941E-08-1.92193795E-12-1.21992557E+04 2.32035207E+01 NC3H7COC2H4S 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1386.000 1.93409644E+01 2.56927090E-02-8.88365538E-06 1.38917272E-09-8.09982255E-14 -2.33416177E+04-7.39480531E+01 8.23830406E-01 6.74626897E-02-4.57147359E-05 1.66707586E-08-2.60416740E-12-1.66263615E+04 2.62565174E+01 CHCHCHO 5/14/ 3 C 3H 3O 1 0G 300.000 5000.000 1394.000 1.02666402E+01 7.09612931E-03-2.47272731E-06 3.88739735E-10-2.27523413E-14 1.51653800E+04-2.79927436E+01 1.20905268E+00 3.19125216E-02-2.93443761E-05 1.38077482E-08-2.58328113E-12 1.79711576E+04 1.93989644E+01 C6H101-3 C 6H 10 G 300.00 5000.00 1396.00 .172274136E+02 .228968868E-01-.784176920E-05 .121837034E-08-.707190802E-13 -.164978530E+04-.663069861E+02-.238507596E+01 .730622234E-01-.586808335E-04 .252424911E-07-.446820100E-11 .480385112E+04 .376104460E+02 C6H101-4 C 6H 10 G 300.00 5000.00 1396.00 .172274136E+02 .228968868E-01-.784176920E-05 .121837034E-08-.707190802E-13 -.164978530E+04-.663069861E+02-.238507596E+01 .730622234E-01-.586808335E-04 .252424911E-07-.446820100E-11 .480385112E+04 .376104460E+02 C6H101-5 C 6H 10 G 300.00 5000.00 1396.00 .172274136E+02 .228968868E-01-.784176920E-05 .121837034E-08-.707190802E-13 -.164978530E+04-.663069861E+02-.238507596E+01 .730622234E-01-.586808335E-04 .252424911E-07-.446820100E-11 .480385112E+04 .376104460E+02 C6H102-4 C 6H 10 G 300.00 5000.00 1396.00 .172274136E+02 .228968868E-01-.784176920E-05 .121837034E-08-.707190802E-13 -.164978530E+04-.663069861E+02-.238507596E+01 .730622234E-01-.586808335E-04 .252424911E-07-.446820100E-11 .480385112E+04 .376104460E+02 ETES1 C 6H 10O 1 G 300.00 5000.00 1401.00 .191884587E+02 .242677667E-01-.833134636E-05 .129673623E-08-.753674415E-13 -.154455993E+05-.773983087E+02-.596655202E+01 .890553981E-01-.735045234E-04 .314932080E-07-.545546649E-11-.732232871E+04 .555446829E+02

SUPPLEMENTAL MATERIALMVOX C 6H 10O 1 G 300.00 5000.00 1401.00 .191884587E+02 .242677667E-01-.833134636E-05 .129673623E-08-.753674415E-13 -.154455993E+05-.773983087E+02-.596655202E+01 .890553981E-01-.735045234E-04 .314932080E-07-.545546649E-11-.732232871E+04 .555446829E+02 VTHF C 6H 10O 1 G 300.00 5000.00 1401.00 .191884587E+02 .242677667E-01-.833134636E-05 .129673623E-08-.753674415E-13 -.154455993E+05-.773983087E+02-.596655202E+01 .890553981E-01-.735045234E-04 .314932080E-07-.545546649E-11-.732232871E+04 .555446829E+02 EDHF C 6H 10O 1 G 300.00 5000.00 1401.00 .191884587E+02 .242677667E-01-.833134636E-05 .129673623E-08-.753674415E-13 -.154455993E+05-.773983087E+02-.596655202E+01 .890553981E-01-.735045234E-04 .314932080E-07-.545546649E-11-.732232871E+04 .555446829E+02 ETC6 C 6H 12O 1 G 300.00 5000.00 1394.00 .203993533E+02 .276439546E-01-.953039676E-05 .148744527E-08-.866140106E-13 -.287586050E+05-.822078661E+02-.356246496E+01 .855235442E-01-.641582453E-04 .254389942E-07-.417794820E-11-.205700039E+05 .459025070E+02 KES1 C 6H 10O 1 G 300.00 5000.00 1388.00 .186909693E+02 .241939465E-01-.838233377E-05 .131252224E-08-.765989643E-13 -.295692017E+05-.705828250E+02 .446467269E+00 .664586762E-01-.470073659E-04 .179961137E-07-.293748963E-11-.230628492E+05 .277541300E+02 C6H111O2H-3 C 6H 12O 2 G 300.00 5000.00 1392.00 .242792322E+02 .263321024E-01-.914194501E-05 .143356642E-08-.837527455E-13 -.279597127E+05-.975927336E+02-.797246592E+00 .884990873E-01-.699517134E-04 .292202963E-07-.503185345E-11-.195195453E+05 .359633634E+02 C6H111O2H-4 C 6H 12O 2 G 300.00 5000.00 1392.00 .241598315E+02 .264141743E-01-.916604821E-05 .143689654E-08-.839293545E-13 -.284539273E+05-.967105334E+02-.671334306E+00 .872726302E-01-.678106371E-04 .277977889E-07-.470536630E-11-.200372603E+05 .357689620E+02 C6H111O2H-5 C 6H 12O 2 G 300.00 5000.00 1392.00 .241598315E+02 .264141743E-01-.916604821E-05 .143689654E-08-.839293545E-13 -.284539273E+05-.967105334E+02-.671334306E+00 .872726302E-01-.678106371E-04 .277977889E-07-.470536630E-11-.200372603E+05 .357689620E+02 C6H111O2H-6 C 6H 12O 2 G 300.00 5000.00 1389.00 .234008570E+02 .270661621E-01-.939242872E-05 .147237442E-08-.860004431E-13 -.261302043E+05-.914219690E+02 .311486807E+00 .810135140E-01-.585042940E-04 .222954450E-07-.354988216E-11-.180250145E+05 .327265962E+02 C6H112O2H-4 C 6H 12O 2 G 300.00 5000.00 1390.00 .238605691E+02 .267263131E-01-.928634310E-05 .145697133E-08-.851501903E-13 -.293238663E+05-.957046301E+02-.753695219E+00 .873573674E-01-.683958497E-04 .284775641E-07-.491362774E-11-.209736202E+05 .355730105E+02 C6H112O2H-5 C 6H 12O 2 G 300.00 5000.00 1390.00 .236804698E+02 .268319366E-01-.931237637E-05 .145995807E-08-.852807436E-13 -.297893970E+05-.944537469E+02-.977786271E-01 .836152385E-01-.624511953E-04 .246774273E-07-.405915948E-11-.215666972E+05 .329610143E+02 C6H112O2H-6 C 6H 12O 2 G 300.00 5000.00 1388.00 .229488499E+02 .274438680E-01-.952133333E-05 .149235013E-08-.871576434E-13 -.274756907E+05-.893200393E+02 .802060614E+00 .777041021E-01-.536127485E-04 .194323872E-07-.295453196E-11-.195415277E+05 .303063194E+02 C6H113O2H-2 C 6H 12O 2 G 300.00 5000.00 1391.00 .239772718E+02 .266035589E-01-.923895225E-05 .144906345E-08-.846695750E-13 -.292031812E+05-.962904636E+02-.126739750E+01 .891469732E-01-.704153407E-04 .294208766E-07-.507121703E-11-.206975087E+05 .381839670E+02 C6H113O2H-1 C 6H 12O 2 G 300.00 5000.00 1387.00 .236308952E+02 .266617050E-01-.930222928E-05 .146355920E-08-.857041772E-13 -.276274166E+05-.932063164E+02-.131133949E+00 .813310493E-01-.580494135E-04 .216450938E-07-.336477854E-11-.192042452E+05 .348562905E+02 NC6D1KET34 C 6H 10O 3 G 300.00 5000.00 1390.00 .257983094E+02 .228116397E-01-.800057802E-05 .126322558E-08-.741574060E-13 -.435413400E+05-.103594800E+03-.879937693E+00 .906618501E-01-.760486297E-04 .330211493E-07-.581958510E-11-.347639182E+05 .378353180E+02 NC6D1KET35 C 6H 10O 3 G 300.00 5000.00 1388.00 .252251243E+02 .232468040E-01-.813790138E-05 .128321972E-08-.752598084E-13 -.439222295E+05-.998386061E+02 .859032690E+00 .849726292E-01-.703646845E-04 .307049154E-07-.549124822E-11-.358150700E+05 .295315219E+02 NC6D1KET36 C 6H 10O 3 G 300.00 5000.00 1386.00 .246079059E+02 .238193350E-01-.834639116E-05 .131693263E-08-.772708520E-13 -.416806989E+05-.954262876E+02 .164544868E+01 .794444833E-01-.617833446E-04 .255121988E-07-.438629485E-11-.337709382E+05 .274198430E+02 NC6D1KET43 C 6H 10O 3 G 300.00 5000.00 1386.00 .248134658E+02 .236679402E-01-.829973712E-05 .131026548E-08-.769086532E-13 -.414850247E+05-.964574729E+02 .107756600E+01 .815204297E-01-.641161371E-04 .266231177E-07-.458072562E-11-.333626466E+05 .303700873E+02 NC6D1KET45 C 6H 10O 3 G 300.00 5000.00 1390.00 .251943125E+02 .233015181E-01-.816424277E-05 .128820260E-08-.755881804E-13 -.409300018E+05-.989201697E+02-.136114624E+01 .904259145E-01-.750375115E-04 .323037734E-07-.565763026E-11-.321505116E+05 .420073825E+02 NC6D1KET46 C 6H 10O 3 G 300.00 5000.00 1386.00 .240046171E+02 .243109061E-01-.851114087E-05 .134213064E-08-.787165658E-13 -.390699585E+05-.907535094E+02 .120615803E+01 .790495420E-01-.605529017E-04 .246670926E-07-.419757300E-11-.311658629E+05 .313918111E+02 NC6D1KET53 C 6H 10O 3 G 300.00 5000.00 1387.00 .247812957E+02 .236294207E-01-.827119017E-05 .130416539E-08-.764852162E-13 -.413548778E+05-.964100793E+02 .124868954E+01 .816249635E-01-.649725180E-04 .273590198E-07-.476412072E-11-.333627981E+05 .291095742E+02 NC6D1KET54 C 6H 10O 3 G 300.00 5000.00 1389.00 .250907419E+02 .233708456E-01-.818394462E-05 .129083225E-08-.757230478E-13 -.413898543E+05-.984066457E+02-.201058658E+00 .854688737E-01-.679446523E-04 .280458376E-07-.474057650E-11-.328539887E+05 .364494167E+02 NC6D1KET56 C 6H 10O 3 G 300.00 5000.00 1381.00 .237618794E+02 .245055834E-01-.857519967E-05 .135176226E-08-.792610624E-13 -.385143810E+05-.893197157E+02 .401869706E+01 .691654483E-01-.483997299E-04 .182279228E-07-.294649828E-11-.313379792E+05 .175263729E+02 NC6D1KET63 C 6H 10O 3 G 300.00 5000.00 1388.00 .250462110E+02 .233305307E-01-.815110144E-05 .128360076E-08-.752125954E-13 -.375927321E+05-.971357410E+02 .170060879E+01 .815598144E-01-.658032934E-04 .280678696E-07-.493297720E-11-.297393488E+05 .271300311E+02 NC6D1KET64 C 6H 10O 3 G 300.00 5000.00 1389.00 .247760251E+02 .235073590E-01-.820009414E-05 .128997010E-08-.755308784E-13 -.380021544E+05-.953273681E+02 .215202567E+01 .790190793E-01-.620735181E-04 .258128239E-07-.444363386E-11-.303069622E+05 .254105115E+02 NC6D1KET65 C 6H 10O 3 G 300.00 5000.00 1391.00 .253952898E+02 .230473334E-01-.805738668E-05 .126947036E-08-.744126533E-13 -.376433550E+05-.993640862E+02-.148870749E+00 .873133093E-01-.716904116E-04 .305825140E-07-.531542687E-11-.291739013E+05 .362934571E+02 NC6D2KET45 C 6H 10O 3 G 300.00 5000.00 1389.00 .253327329E+02 .232200480E-01-.814427749E-05 .128594516E-08-.754918410E-13 -.448853627E+05-.101425531E+03-.344302412E+00 .871469094E-01-.708606252E-04 .299912727E-07-.519127430E-11-.362870364E+05 .352066066E+02 NC6D2KET46 C 6H 10O 3 G 300.00 5000.00 1438.00 .147972337E+02 .263787617E-01-.798793527E-05 .113433394E-08-.615921181E-13 -.340290783E+05-.411916841E+02 .204214382E+01 .674637140E-01-.576467507E-04 .275403606E-07-.524364424E-11-.307999075E+05 .231801511E+02 NC6D2KET54 C 6H 10O 3 G 300.00 5000.00 1381.00 .235243117E+02 .247724587E-01-.868258702E-05 .137019527E-08-.804043024E-13 -.394701680E+05-.886810443E+02 .312404345E+01 .695391264E-01-.465433054E-04 .162779600E-07-.241180094E-11-.319606832E+05 .221368632E+02 NC6D2KET56 C 6H 10O 3 G 300.00 5000.00 1381.00 .235243117E+02 .247724587E-01-.868258702E-05 .137019527E-08-.804043024E-13 -.394701680E+05-.886810443E+02 .312404345E+01 .695391264E-01-.465433054E-04 .162779600E-07-.241180094E-11-.319606832E+05 .221368632E+02 NC6D2KET64 C 6H 10O 3 G 300.00 5000.00 1387.00 .245802947E+02 .237403050E-01-.829551027E-05 .130645583E-08-.765559206E-13 -.389364374E+05-.949639669E+02 .224971473E+01 .779953716E-01-.605507316E-04 .250027046E-07-.429772077E-11-.312647870E+05 .244367570E+02 NC6D2KET65 C 6H 10O 3 G 300.00 5000.00 1389.00 .249192976E+02 .234620561E-01-.820268998E-05 .129237940E-08-.757556255E-13 -.389849838E+05-.971351584E+02 .455809320E+00 .834466520E-01-.659538465E-04 .272040849E-07-.460895493E-11-.307073699E+05 .333547639E+02 NC6D3KET21 C 6H 10O 3 G 300.00 5000.00 1383.00 .242955905E+02 .241356158E-01-.846727186E-05 .133706691E-08-.784956336E-13 -.413270251E+05-.942415282E+02 .256357701E+01 .740872652E-01-.534164996E-04 .203460526E-07-.326583985E-11-.335688920E+05 .229823962E+02 NC6D3KET12 C 6H 10O 3 G 300.00 5000.00 1388.00 .249365998E+02 .235127695E-01-.823530308E-05 .129909614E-08-.762141294E-13 -.390472215E+05-.970899266E+02 .463076404E+00 .825462584E-01-.639189002E-04 .257434455E-07-.426673272E-11-.306739450E+05 .337910731E+02 C6H112O2-1 C 6H 11O 2 G 300.00 5000.00 1391.00 .218247003E+02 .261477191E-01-.904382408E-05 .141447358E-08-.824824437E-13 -.868620099E+04-.826421791E+02 .172342389E+00 .796365546E-01-.617325710E-04 .258868673E-07-.453504168E-11-.131317497E+04 .328552164E+02 C6H111O2-3 C 6H 11O 2 G 300.00 5000.00 1391.00 .218247003E+02 .261477191E-01-.904382408E-05 .141447358E-08-.824824437E-13 -.868620099E+04-.826421791E+02 .172342389E+00 .796365546E-01-.617325710E-04 .258868673E-07-.453504168E-11-.131317497E+04 .328552164E+02 C6H111O2-4 C 6H 11O 2 G 300.00 5000.00 1391.00 .216615043E+02 .262498570E-01-.907088524E-05 .141783876E-08-.826433939E-13 -.915007553E+04-.814781346E+02 .277529293E+00 .786289898E-01-.601042683E-04 .248490451E-07-.430167349E-11-.183062566E+04 .327344165E+02 C6H111O2-5 C 6H 11O 2 G 300.00 5000.00 1391.00 .216615043E+02 .262498570E-01-.907088524E-05 .141783876E-08-.826433939E-13 -.915007553E+04-.814781346E+02 .277529293E+00 .786289898E-01-.601042683E-04 .248490451E-07-.430167349E-11-.183062566E+04 .327344165E+02 C6H111O2-6 C 6H 11O 2 G 300.00 5000.00 1388.00 .209441967E+02 .268874173E-01-.929709904E-05 .145380527E-08-.847641892E-13 -.685709066E+04-.764620284E+02 .127980301E+01 .721524639E-01-.502889230E-04 .189682658E-07-.305539055E-11 .181691439E+03 .296253760E+02 C6H112O2-4 C 6H 11O 2 G 300.00 5000.00 1389.00 .213545199E+02 .265647098E-01-.919147506E-05 .143790977E-08-.838625367E-13 -.100291675E+05-.804485096E+02 .709241510E+00 .761167882E-01-.565441627E-04 .228626264E-07-.390914815E-11-.283646907E+04 .302206800E+02 C6H112O2-5 C 6H 11O 2 G 300.00 5000.00 1389.00 .211830704E+02 .266691844E-01-.921827673E-05 .144112100E-08-.840098554E-13 -.104865774E+05-.792293261E+02 .861603309E+00 .749248603E-01-.546729053E-04 .216848199E-07-.364611710E-11-.336167444E+04 .298764440E+02 C6H112O2-6 C 6H 11O 2 G 300.00 5000.00 1387.00 .204743827E+02 .273032958E-01-.944419009E-05 .147713579E-08-.861373934E-13 -.819960133E+04-.742677120E+02 .183281227E+01 .685685322E-01-.450094020E-04 .158888653E-07-.241748671E-11-.134425559E+04 .269157982E+02 C6H113O2-1 C 6H 11O 2 G 300.00 5000.00 1385.00 .203167587E+02 .274247868E-01-.948325138E-05 .148292781E-08-.864620193E-13 -.809917620E+04-.735400368E+02 .282240306E+01 .644791002E-01-.394590946E-04 .127102060E-07-.175876839E-11-.148617135E+04 .220302771E+02 C6H113O2-2 C 6H 11O 2 G 300.00 5000.00 1390.00 .215210498E+02 .264199917E-01-.914096761E-05 .142997611E-08-.833989347E-13 -.992850970E+04-.813291479E+02-.302934052E+00 .803127668E-01-.622466191E-04 .261216993E-07-.458234209E-11-.249048769E+04 .350985318E+02 C6H101OOH3-4 C 6H 11O 2 G 300.00 5000.00 1389.00 .235865321E+02 .239558178E-01-.823516169E-05 .128335285E-08-.746678485E-13 -.417838818E+04-.904585438E+02 .952498186E-01 .803618403E-01-.606668109E-04 .237467937E-07-.380814694E-11 .383105496E+04 .351713411E+02 C6H101OOH3-5 C 6H 11O 2 G 300.00 5000.00 1389.00 .235865321E+02 .239558178E-01-.823516169E-05 .128335285E-08-.746678485E-13 -.417838818E+04-.904585438E+02 .952498186E-01 .803618403E-01-.606668109E-04 .237467937E-07-.380814694E-11 .383105496E+04 .351713411E+02 C6H101OOH3-6 C 6H 11O 2 G 300.00 5000.00 1391.00 .238720815E+02 .241660837E-01-.840279243E-05 .131902436E-08-.771170592E-13 -.289705656E+04-.925485494E+02-.456627752E-01 .840204422E-01-.675654515E-04 .286242771E-07-.498055850E-11 .509507304E+04 .346344213E+02 C6H101OOH4-3 C 6H 11O 2 G 300.00 5000.00 1392.00 .237243515E+02 .247401711E-01-.860684147E-05 .135155980E-08-.790410535E-13 -.113413060E+05-.955723076E+02-.910297866E+00 .852583006E-01-.669192636E-04 .274969957E-07-.464326012E-11-.302468665E+04 .357766300E+02 C6H101OOH4-5 C 6H 11O 2 G 300.00 5000.00 1389.00 .232488323E+02 .242528100E-01-.833845278E-05 .129945460E-08-.756011681E-13 -.456843145E+04-.882821109E+02 .631714497E+00 .774646638E-01-.564802642E-04 .212731200E-07-.328310530E-11 .324910406E+04 .330550855E+02 C6H101OOH4-6 C 6H 11O 2 G 300.00 5000.00 1392.00 .237355148E+02 .242568015E-01-.842850745E-05 .132245876E-08-.772936360E-13 -.338002357E+04-.915558475E+02 .132873065E+00 .825961968E-01-.651872823E-04 .270764415E-07-.462921664E-11 .456860069E+04 .341908856E+02 C6H101OOH5-3 C 6H 11O 2 G 300.00 5000.00 1392.00 .237243515E+02 .247401711E-01-.860684147E-05 .135155980E-08-.790410535E-13 -.113413060E+05-.955723076E+02-.910297866E+00 .852583006E-01-.669192636E-04 .274969957E-07-.464326012E-11-.302468665E+04 .357766300E+02 C6H101OOH5-4 C 6H 11O 2 G 300.00 5000.00 1389.00 .232488323E+02 .242528100E-01-.833845278E-05 .129945460E-08-.756011681E-13 -.456843145E+04-.882821109E+02 .631714497E+00 .774646638E-01-.564802642E-04 .212731200E-07-.328310530E-11 .324910406E+04 .330550855E+02 C6H101OOH5-6 C 6H 11O 2 G 300.00 5000.00 1392.00 .237355148E+02 .242568015E-01-.842850745E-05 .132245876E-08-.772936360E-13 -.337882072E+04-.915558475E+02 .132873065E+00 .825961968E-01-.651872823E-04 .270764415E-07-.462921664E-11 .456980353E+04 .341908856E+02 C6H101OOH6-3 C 6H 11O 2 G 300.00 5000.00 1389.00

SUPPLEMENTAL MATERIAL .230069994E+02 .253677322E-01-.882729766E-05 .138638017E-08-.810848797E-13 -.903881549E+04-.905352219E+02-.608388291E-03 .793277090E-01-.580291325E-04 .222216224E-07-.353369351E-11-.100198828E+04 .330695740E+02 C6H101OOH6-4 C 6H 11O 2 G 300.00 5000.00 1380.00 .231648127E+02 .239156984E-01-.814392966E-05 .126186543E-08-.731481869E-13 -.251231039E+04-.868162634E+02 .112488828E+01 .730055728E-01-.489258020E-04 .162744046E-07-.213927970E-11 .534182053E+04 .323392943E+02 C6H101OOH6-5 C 6H 11O 2 G 300.00 5000.00 1380.00 .231648127E+02 .239156984E-01-.814392966E-05 .126186543E-08-.731481869E-13 -.251231039E+04-.868162634E+02 .112488828E+01 .730055728E-01-.489258020E-04 .162744046E-07-.213927970E-11 .534182053E+04 .323392943E+02 C6H101OOH3-4O2 C 6H 11O 4 G 300.00 5000.00 1390.00 .284866924E+02 .250953833E-01-.876367432E-05 .137964073E-08-.808226365E-13 -.230411917E+05-.113219092E+03 .102229563E+01 .972289536E-01-.842572926E-04 .382500314E-07-.703511167E-11-.141603382E+05 .316908172E+02 C6H101OOH3-5O2 C 6H 11O 4 G 300.00 5000.00 1390.00 .284866924E+02 .250953833E-01-.876367432E-05 .137964073E-08-.808226365E-13 -.230411917E+05-.113219092E+03 .102229563E+01 .972289536E-01-.842572926E-04 .382500314E-07-.703511167E-11-.141603382E+05 .316908172E+02 C6H101OOH3-6O2 C 6H 11O 4 G 300.00 5000.00 1389.00 .277417137E+02 .257731343E-01-.900775991E-05 .141883954E-08-.831503458E-13 -.207971148E+05-.108180759E+03 .121543622E+01 .932821348E-01-.774588187E-04 .339724888E-07-.610567238E-11-.119955805E+05 .325594137E+02 C6H101OOH4-3O2 C 6H 11O 4 G 300.00 5000.00 1390.00 .284866924E+02 .250953833E-01-.876367432E-05 .137964073E-08-.808226365E-13 -.230411917E+05-.113219092E+03 .102229563E+01 .972289536E-01-.842572926E-04 .382500314E-07-.703511167E-11-.141603382E+05 .316908172E+02 C6H101OOH4-5O2 C 6H 11O 4 G 300.00 5000.00 1391.00 .282642586E+02 .252451223E-01-.880643745E-05 .138537282E-08-.811177141E-13 -.234838646E+05-.111717074E+03 .129384625E+01 .953423407E-01-.812997536E-04 .363927238E-07-.662212513E-11-.146985283E+05 .308320369E+02 C6H101OOH4-6O2 C 6H 11O 4 G 300.00 5000.00 1389.00 .275912179E+02 .258612736E-01-.902901410E-05 .142117498E-08-.832456690E-13 -.212205426E+05-.106984128E+03 .204641152E+01 .898933326E-01-.728891049E-04 .313362370E-07-.555187478E-11-.126465661E+05 .288960825E+02 C6H101OOH5-3O2 C 6H 11O 4 G 300.00 5000.00 1390.00 .284866924E+02 .250953833E-01-.876367432E-05 .137964073E-08-.808226365E-13 -.230411917E+05-.113219092E+03 .102229563E+01 .972289536E-01-.842572926E-04 .382500314E-07-.703511167E-11-.141603382E+05 .316908172E+02 C6H101OOH5-4O2 C 6H 11O 4 G 300.00 5000.00 1391.00 .282642586E+02 .252451223E-01-.880643745E-05 .138537282E-08-.811177141E-13 -.234838646E+05-.111717074E+03 .129384625E+01 .953423407E-01-.812997536E-04 .363927238E-07-.662212513E-11-.146985283E+05 .308320369E+02 C6H101OOH5-6O2 C 6H 11O 4 G 300.00 5000.00 1389.00 .275912179E+02 .258612736E-01-.902901410E-05 .142117498E-08-.832456690E-13 -.212205426E+05-.106984128E+03 .204641152E+01 .898933326E-01-.728891049E-04 .313362370E-07-.555187478E-11-.126465661E+05 .288960825E+02 C6H101OOH6-3O2 C 6H 11O 4 G 300.00 5000.00 1389.00 .277417137E+02 .257731343E-01-.900775991E-05 .141883954E-08-.831503458E-13 -.207971148E+05-.108180759E+03 .121543622E+01 .932821348E-01-.774588187E-04 .339724888E-07-.610567238E-11-.119955805E+05 .325594137E+02 C6H101OOH6-4O2 C 6H 11O 4 G 300.00 5000.00 1389.00 .275912179E+02 .258612736E-01-.902901410E-05 .142117498E-08-.832456690E-13 -.212205426E+05-.106984128E+03 .204641152E+01 .898933326E-01-.728891049E-04 .313362370E-07-.555187478E-11-.126465661E+05 .288960825E+02 C6H101OOH6-5O2 C 6H 11O 4 G 300.00 5000.00 1389.00 .275912179E+02 .258612736E-01-.902901410E-05 .142117498E-08-.832456690E-13 -.212205426E+05-.106984128E+03 .204641152E+01 .898933326E-01-.728891049E-04 .313362370E-07-.555187478E-11-.126465661E+05 .288960825E+02 C6H102OOH5-4 C 6H 11O 2 G 300.00 5000.00 1390.00 .232752685E+02 .251409461E-01-.874931155E-05 .137423314E-08-.803786732E-13 -.126933360E+05-.935010174E+02-.402203129E+00 .818778797E-01-.619069792E-04 .245652582E-07-.403514422E-11-.454420456E+04 .332729123E+02 C6H103OOH1-2 C 6H 11O 2 G 300.00 5000.00 1386.00 .223753433E+02 .259192338E-01-.902065197E-05 .141686858E-08-.828719949E-13 -.102813685E+05-.875969572E+02 .154280561E+01 .716314208E-01-.471541806E-04 .159384080E-07-.223271419E-11-.266822299E+04 .254748806E+02 C6H102OOH4-5 C 6H 11O 2 G 300.00 5000.00 1386.00 .232398122E+02 .241563455E-01-.828585057E-05 .128951635E-08-.749613636E-13 -.556292849E+04-.889426926E+02 .582697759E+00 .769938922E-01-.555576336E-04 .206590703E-07-.314739197E-11 .231656586E+04 .327785094E+02 C6H102OOH4-6 C 6H 11O 2 G 300.00 5000.00 1390.00 .234491400E+02 .245596126E-01-.854602502E-05 .134215244E-08-.784946077E-13 -.425919499E+04-.899400439E+02 .498679078E-01 .826265919E-01-.656231370E-04 .276373931E-07-.480771067E-11 .363374932E+04 .347019993E+02 C6H102OOH5-6 C 6H 11O 2 G 300.00 5000.00 1390.00 .232562311E+02 .246734129E-01-.857419421E-05 .134539437E-08-.786366380E-13 -.471495052E+04-.886067004E+02 .703137830E+00 .789566248E-01-.598556399E-04 .239724683E-07-.398633224E-11 .303956769E+04 .320891098E+02 C6H102OOH6-4 C 6H 11O 2 G 300.00 5000.00 1385.00 .230773623E+02 .250917259E-01-.877976000E-05 .138404736E-08-.811587377E-13 -.106363474E+05-.914736269E+02 .546105318E+00 .755506610E-01-.520172914E-04 .183934696E-07-.269131116E-11-.252256179E+04 .304271050E+02 C6H102OOH6-5 C 6H 11O 2 G 300.00 5000.00 1375.00 .228661984E+02 .240568017E-01-.817267637E-05 .126464679E-08-.732521694E-13 -.392285482E+04-.855823037E+02 .164691737E+01 .694744642E-01-.435533729E-04 .130171015E-07-.144134516E-11 .382106194E+04 .297878034E+02 C6H103OOH1-2 C 6H 11O 2 G 300.00 5000.00 1386.00 .223753433E+02 .259192338E-01-.902065197E-05 .141686858E-08-.828719949E-13 -.102813685E+05-.875969572E+02 .154280561E+01 .716314208E-01-.471541806E-04 .159384080E-07-.223271419E-11-.266822299E+04 .254748806E+02 C6H103OOH2-1 C 6H 11O 2 G 300.00 5000.00 1391.00 .235706798E+02 .244362818E-01-.849919874E-05 .133441074E-08-.780267805E-13 -.414069669E+04-.905552440E+02-.512700845E+00 .846518233E-01-.680011968E-04 .288057929E-07-.501540641E-11 .391670434E+04 .375351732E+02 C6H102OOH4-5O2 C 6H 11O 4 G 300.00 5000.00 1389.00 .279894624E+02 .255285153E-01-.891538113E-05 .140355248E-08-.822240440E-13 -.243730959E+05-.110866625E+03 .158140767E+01 .935665623E-01-.788770135E-04 .351187133E-07-.638734634E-11-.156854097E+05 .289658218E+02 C6H102OOH4-6O2 C 6H 11O 4 G 300.00 5000.00 1387.00 .272773170E+02 .261796496E-01-.915059792E-05 .144140203E-08-.844746905E-13 -.221409666E+05-.106012850E+03 .177730962E+01 .896793550E-01-.721579412E-04 .308782424E-07-.546384052E-11-.135246967E+05 .298041253E+02 C6H102OOH5-4O2 C 6H 11O 4 G 300.00 5000.00 1389.00 .279894624E+02 .255285153E-01-.891538113E-05 .140355248E-08-.822240440E-13 -.243730959E+05-.110866625E+03 .158140767E+01 .935665623E-01-.788770135E-04 .351187133E-07-.638734634E-11-.156854097E+05 .289658218E+02 C6H102OOH5-6O2 C 6H 11O 4 G 300.00 5000.00 1387.00 .270950096E+02 .262942321E-01-.918082428E-05 .144512064E-08-.846497937E-13 -.225534667E+05-.104639988E+03 .261043954E+01 .862028229E-01-.674604084E-04 .281730962E-07-.489693847E-11-.141722218E+05 .261483734E+02 C6H102OOH6-4O2 C 6H 11O 4 G 300.00 5000.00 1387.00 .272773170E+02 .261796496E-01-.915059792E-05 .144140203E-08-.844746905E-13 -.221409666E+05-.106012850E+03 .177730962E+01 .896793550E-01-.721579412E-04 .308782424E-07-.546384052E-11-.135246967E+05 .298041253E+02 C6H102OOH6-5O2 C 6H 11O 4 G 300.00 5000.00 1387.00 .270950096E+02 .262942321E-01-.918082428E-05 .144512064E-08-.846497937E-13 -.225534667E+05-.104639988E+03 .261043954E+01 .862028229E-01-.674604084E-04 .281730962E-07-.489693847E-11-.141722218E+05 .261483734E+02 C6H103OOH2-1O2 C 6H 11O 4 G 300.00 5000.00 1389.00 .274462755E+02 .260361877E-01-.910124714E-05 .143372336E-08-.840289184E-13 -.220407968E+05-.106906811E+03 .741773416E+00 .940159244E-01-.780995580E-04 .342988822E-07-.617488044E-11-.131761876E+05 .347824369E+02 C6H103OOH1-2O2 C 6H 11O 4 G 300.00 5000.00 1389.00 .274462755E+02 .260361877E-01-.910124714E-05 .143372336E-08-.840289184E-13 -.220407968E+05-.106906811E+03 .741773416E+00 .940159244E-01-.780995580E-04 .342988822E-07-.617488044E-11-.131761876E+05 .347824369E+02 C2H3COC3H7 C 6H 10O 1 G 300.00 5000.00 1388.00 .186909693E+02 .241939465E-01-.838233377E-05 .131252224E-08-.765989643E-13 -.295692017E+05-.705828250E+02 .446467269E+00 .664586762E-01-.470073659E-04 .179961137E-07-.293748963E-11-.230628492E+05 .277541300E+02 C5H81-4 3/ 4/ 8 THERMC 5H 8 0 0G 300.000 5000.000 1393.000 1.35352242E+01 1.85170786E-02-6.26984814E-06 9.66983255E-10-5.58485033E-14 6.00118884E+03-4.62552894E+01-1.64766327E+00 5.54190112E-02-4.12156069E-05 1.62877209E-08-2.66483052E-12 1.11493804E+04 3.48094470E+01 IC5H12 8/ 4/ 4 THERMC 5H 12 0 0G 300.000 5000.000 1390.000 1.57545572E+01 2.63925840E-02-9.07431001E-06 1.41352979E-09-8.21942294E-14 -2.70716747E+04-6.15171687E+01-1.19612542E+00 6.27763972E-02-3.86703566E-05 1.23853668E-08-1.66433269E-12-2.07618289E+04 3.08281594E+01 AC5H11 8/ 4/ 4 THERMC 5H 11 0 0G 300.000 5000.000 1389.000 1.53402738E+01 2.42432570E-02-8.34319703E-06 1.30047471E-09-7.56543396E-14 -2.00798022E+03-5.64358577E+01-4.41189766E-01 5.82769785E-02-3.62582727E-05 1.17829592E-08-1.61384222E-12 3.85322010E+03 2.94875430E+01 BC5H11 8/ 4/ 4 THERMC 5H 11 0 0G 300.000 5000.000 1378.000 1.38978149E+01 2.54963909E-02-8.78132157E-06 1.36944491E-09-7.96929021E-14 -3.85892889E+03-4.73886894E+01 2.35820469E+00 4.30754444E-02-1.43015489E-05 -1.04411703E-09 1.06104659E-12 1.20929341E+03 1.81181461E+01 CC5H11 8/ 4/ 4 THERMC 5H 11 0 0G 300.000 5000.000 1384.000 1.49364897E+01 2.42796217E-02-8.29146318E-06 1.28598475E-09-7.45598253E-14 -3.26451818E+03-5.37259413E+01-1.19871928E-01 5.38690197E-02-2.83955259E-05 6.45727746E-09-3.73260779E-13 2.56014235E+03 2.91794990E+01 DC5H11 8/ 4/ 4 THERMC 5H 11 0 0G 300.000 5000.000 1389.000 1.53402738E+01 2.42432570E-02-8.34319703E-06 1.30047471E-09-7.56543396E-14 -2.00798022E+03-5.64358577E+01-4.41189766E-01 5.82769785E-02-3.62582727E-05 1.17829592E-08-1.61384222E-12 3.85322010E+03 2.94875430E+01 AC5H10 2/14/95 C 5H 10 0 0G 300.000 5000.000 1391.000 1.45614087E+01 2.25370538E-02-7.70100060E-06 1.19467870E-09-6.92704808E-14 -1.18004520E+04-5.30651959E+01-2.76630603E-01 5.53539280E-02-3.54499620E-05 1.19626854E-08-1.69878242E-12-6.39547297E+03 2.73911578E+01 BC5H10 2/14/95 C 5H 10 0 0G 300.000 5000.000 1385.000 1.39945443E+01 2.29446582E-02-7.82594153E-06 1.21260230E-09-7.02518457E-14 -1.31576943E+04-5.04083848E+01 1.20274147E+00 4.78872107E-02-2.48144766E-05 5.73514355E-09-3.91266685E-13-8.15212335E+03 2.01592579E+01 CC5H10 2/14/95 C 5H 10 0 0G 300.000 5000.000 1393.000 1.46491909E+01 2.25422061E-02-7.72053001E-06 1.19958604E-09-6.96317745E-14 -1.11652332E+04-5.42252285E+01-1.83685605E+00 6.07709466E-02-4.21592576E-05 1.56103972E-08-2.43142766E-12-5.34864282E+03 3.45203543E+01 AC5H9-A1 5/14/ 3 THERMC 5H 9 0 0G 300.000 5000.000 1392.000 1.44275954E+01 2.01413496E-02-6.88263565E-06 1.06773206E-09-6.19095750E-14 1.83186525E+04-5.04444624E+01 6.77646626E-01 5.16740674E-02-3.50126996E-05 1.27627348E-08-1.97452225E-12 2.32215852E+04 2.37248103E+01 AC5H9-A2 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1395.000 1.49750409E+01 2.01225887E-02-6.88146417E-06 1.06814445E-09-6.19590521E-14 6.44627469E+03-5.54559389E+01-1.21033758E+00 5.99270218E-02-4.54161848E-05 1.84720758E-08-3.12471510E-12 1.19236049E+04 3.08551263E+01 AC5H9-C 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1391.000 1.41589519E+01 2.08476156E-02-7.13922935E-06 1.10922683E-09-6.43869471E-14 5.29567020E+03-5.21277925E+01-5.80051463E-01 5.36314838E-02-3.49295541E-05 1.18648559E-08-1.67777526E-12 1.06267222E+04 2.76937030E+01 AC5H9-D 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1391.000 1.41324788E+01 2.04049427E-02-6.97672248E-06 1.08277127E-09-6.28002919E-14 1.32704144E+04-4.78974756E+01 5.16043332E-01 5.06942079E-02-3.28148436E-05 1.12295970E-08-1.62046694E-12 1.82137239E+04 2.58745040E+01 CC5H9-A 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1393.000 1.42217097E+01 2.04119170E-02-6.99754727E-06 1.08794956E-09-6.31801197E-14 1.39046190E+04-4.90671831E+01-1.05084059E+00 5.61469987E-02-3.95783698E-05 1.49122501E-08-2.36114833E-12 1.92613631E+04 3.30330899E+01 CC5H9-B 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1390.000 1.37488177E+01 2.12968668E-02-7.31667105E-06 1.13927710E-09-6.62322892E-14 4.95421077E+03-5.04875121E+01-1.34298383E+00 5.40081867E-02-3.39256098E-05 1.08403555E-08-1.41074687E-12 1.04932842E+04 3.15398815E+01 AC5H9O-A2 5/14/ 3 THERMC 5H 9O 1 0G 300.000 5000.000 1389.000 1.67122590E+01 2.04099546E-02-6.90863640E-06 1.06549630E-09-6.15447496E-14 -3.50286187E+03-6.02787551E+01 5.17938968E-01 5.70752047E-02-3.82547549E-05 1.31238593E-08-1.82693101E-12 2.22660063E+03 2.70905436E+01 AC5H9O-C 5/14/ 3 THERMC 5H 9O 1 0G 300.000 5000.000 1395.000 1.85587275E+01 1.84066669E-02-6.13501346E-06 9.37166339E-10-5.37971701E-14 -6.48338717E+03-7.12211423E+01-1.71420068E+00 6.90797467E-02-5.47098033E-05 2.21062909E-08-3.58067814E-12 1.31695143E+02 3.63260717E+01 CC5H9O-B 5/14/ 3 THERMC 5H 9O 1 0G 300.000 5000.000 1462.000 2.16481795E+01 1.80406173E-02-6.50182738E-06 1.04533712E-09-6.21435998E-14 -9.81113059E+03-7.07098941E+01 3.19377260E+00 4.36720049E-02-6.98357532E-06 -1.04919571E-08 3.89181602E-12-1.82629880E+03 3.43211965E+01 AC5H11O2H 7/19/ 0 THERMC 5H 12O 2 0G 300.000 5000.000 1389.000 2.15869555E+01 2.60547378E-02-9.04237813E-06 1.41759111E-09-8.28040951E-14 -3.92453114E+04-8.56421742E+01 4.44069067E-02 7.54766150E-02-5.29823124E-05 1.95568070E-08-3.02181540E-12-3.15882975E+04 3.05187853E+01 BC5H11O2H 7/19/ 0 THERMC 5H 12O 2 0G 300.000 5000.000 1390.000 2.23401401E+01 2.54352935E-02-8.83297551E-06 1.38533290E-09-8.09425716E-14 -4.24295728E+04-9.23957723E+01-3.97508721E-01 8.06823461E-02-6.18334513E-05 2.52285752E-08-4.28329298E-12-3.46399602E+04 2.91428737E+01 CC5H11O2H 7/19/ 0 THERMC 5H 12O 2 0G 300.000 5000.000 1391.000 2.23595350E+01 2.53908945E-02-8.81185324E-06 1.38146156E-09-8.06948998E-14

SUPPLEMENTAL MATERIAL-4.18265064E+04-9.09747015E+01-9.88450790E-01 8.19484869E-02-6.25711181E-05 2.52160156E-08-4.20884962E-12-3.38441892E+04 3.38309021E+01 DC5H11O2H 7/19/ 0 THERMC 5H 12O 2 0G 300.000 5000.000 1389.000 2.15869555E+01 2.60547378E-02-9.04237813E-06 1.41759111E-09-8.28040951E-14 -3.92453114E+04-8.63316558E+01 4.44069067E-02 7.54766150E-02-5.29823124E-05 1.95568070E-08-3.02181540E-12-3.15882975E+04 2.98293036E+01 AC5H11O2 7/19/ 0 THERMC 5H 11O 2 0G 300.000 5000.000 1387.000 1.91305682E+01 2.58734361E-02-8.94564539E-06 1.39874818E-09-8.15496670E-14 -2.13288691E+04-7.13684976E+01 1.04508498E+00 6.64953216E-02-4.46034597E-05 1.61325645E-08-2.50633537E-12-1.47457019E+04 2.65731566E+01 BC5H11O2 7/19/ 0 THERMC 5H 11O 2 0G 300.000 5000.000 1389.000 1.98915257E+01 2.52452528E-02-8.73274408E-06 1.36589254E-09-7.96512543E-14 -2.45148127E+04-7.81645112E+01 5.49333341E-01 7.19635121E-02-5.38513921E-05 2.20477878E-08-3.82067005E-12-1.77899294E+04 2.54413184E+01 CC5H11O2 7/19/ 0 THERMC 5H 11O 2 0G 300.000 5000.000 1390.000 1.98562654E+01 2.52285636E-02-8.71686439E-06 1.36237600E-09-7.94050428E-14 -2.38775750E+04-7.64008223E+01-4.18072125E-02 7.33312133E-02-5.49267268E-05 2.23135986E-08-3.81632892E-12-1.69961470E+04 3.01128849E+01 DC5H11O2 7/19/ 0 THERMC 5H 11O 2 0G 300.000 5000.000 1387.000 1.91305682E+01 2.58734361E-02-8.94564539E-06 1.39874818E-09-8.15496670E-14 -2.13288691E+04-7.20579792E+01 1.04508498E+00 6.64953216E-02-4.46034597E-05 1.61325645E-08-2.50633537E-12-1.47457019E+04 2.58836750E+01 AC5H11O 4/ 7/97 THERMC 5H 11O 1 0G 300.000 5000.000 1393.000 1.75869049E+01 2.45367427E-02-8.37092452E-06 1.29739442E-09-7.51829993E-14 -1.95805248E+04-6.59883636E+01-9.19732265E-01 6.67848684E-02-4.52387295E-05 1.59896239E-08-2.33753316E-12-1.30295529E+04 3.37952790E+01 BC5H11O 4/ 7/97 THERMC 5H 11O 1 0G 300.000 5000.000 1394.000 1.82069801E+01 2.41156964E-02-8.24753836E-06 1.28029203E-09-7.42707701E-14 -2.31211937E+04-7.15376167E+01-9.58911487E-01 7.02275401E-02-5.16299649E-05 2.02646116E-08-3.31507815E-12-1.65446528E+04 3.10108152E+01 CC5H11O 4/ 7/97 THERMC 5H 11O 1 0G 300.000 5000.000 1394.000 1.79690528E+01 2.45047519E-02-8.42212090E-06 1.31167041E-09-7.62623929E-14 -2.18981212E+04-6.91606112E+01-1.17934351E+00 6.99941133E-02-5.06899867E-05 1.96175724E-08-3.17877376E-12-1.52526970E+04 3.35279941E+01 DC5H11O 4/ 7/97 THERMC 5H 11O 1 0G 300.000 5000.000 1393.000 1.75869049E+01 2.45367427E-02-8.37092452E-06 1.29739442E-09-7.51829993E-14 -1.95805248E+04-6.66778452E+01-9.19732265E-01 6.67848684E-02-4.52387295E-05 1.59896239E-08-2.33753316E-12-1.30295529E+04 3.31057974E+01 AC5H10OOH-A 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1388.000 2.11791318E+01 2.38906528E-02-8.30419248E-06 1.30323110E-09-7.61802631E-14 -1.41812331E+04-8.05905291E+01 8.29191858E-01 7.08644395E-02-5.04079129E-05 1.88497696E-08-2.94703078E-12-6.97837519E+03 2.90353800E+01 AC5H10OOH-B 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1396.000 1.83971804E+01 2.51599624E-02-8.49818403E-06 1.30795807E-09-7.54165072E-14 -1.43214038E+04-6.12419736E+01 3.58789128E+00 5.71245256E-02-3.42556446E-05 1.05253611E-08-1.31115444E-12-8.87735184E+03 1.92877629E+01 AC5H10OOH-C 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1379.000 2.12375512E+01 2.31283536E-02-7.89600878E-06 1.22535095E-09-7.11019018E-14 -1.55928844E+04-8.04254070E+01 9.16725969E-01 6.72427603E-02-4.31327712E-05 1.34482819E-08-1.60817257E-12-8.23140321E+03 2.98515047E+01 AC5H10OOH-D 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1388.000 2.11791318E+01 2.38906528E-02-8.30419248E-06 1.30323110E-09-7.61802631E-14 -1.41812331E+04-8.05905291E+01 8.29191858E-01 7.08644395E-02-5.04079129E-05 1.88497696E-08-2.94703078E-12-6.97837519E+03 2.90353800E+01 BC5H10OOH-A 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1390.000 2.19189546E+01 2.32732351E-02-8.09345412E-06 1.27055477E-09-7.42859874E-14 -1.73602442E+04-8.72651740E+01 5.11498358E-01 7.54442595E-02-5.82826916E-05 2.38983670E-08-4.06813453E-12-1.00467158E+04 2.71001483E+01 BC5H10OOH-C 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1387.000 2.14861952E+01 2.33370570E-02-8.05076237E-06 1.25735030E-09-7.32587422E-14 -1.85948986E+04-8.43704486E+01 9.24581905E-01 7.06635159E-02-4.98634535E-05 1.82112320E-08-2.74283122E-12-1.13548266E+04 2.63586978E+01 BC5H10OOH-D 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1390.000 2.19189546E+01 2.32732351E-02-8.09345412E-06 1.27055477E-09-7.42859874E-14 -1.73602442E+04-8.72651740E+01 5.11498358E-01 7.54442595E-02-5.82826916E-05 2.38983670E-08-4.06813453E-12-1.00467158E+04 2.71001483E+01 CC5H10OOH-A 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1391.000 2.19354136E+01 2.32306883E-02-8.07273382E-06 1.26671388E-09-7.40385402E-14 -1.67498552E+04-8.58152001E+01-1.63294785E-01 7.72022052E-02-5.98591721E-05 2.44432949E-08-4.12159119E-12-9.24143418E+03 3.21519047E+01 CC5H10OOH-B 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1383.000 2.05037039E+01 2.44417681E-02-8.48903925E-06 1.33151458E-09-7.78033634E-14 -1.85742448E+04-7.74485218E+01 3.35857532E+00 5.91592771E-02-3.38846200E-05 9.18399374E-09-9.16127182E-13-1.20054171E+04 1.66606404E+01 CC5H10OOH-D 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1391.000 2.19354136E+01 2.32306883E-02-8.07273382E-06 1.26671388E-09-7.40385402E-14 -1.67498552E+04-8.58152001E+01-1.63294785E-01 7.72022052E-02-5.98591721E-05 2.44432949E-08-4.12159119E-12-9.24143418E+03 3.21519047E+01 DC5H10OOH-A 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1388.000 2.11791318E+01 2.38906528E-02-8.30419248E-06 1.30323110E-09-7.61802631E-14 -1.41812331E+04-8.16876605E+01 8.29191858E-01 7.08644395E-02-5.04079129E-05 1.88497696E-08-2.94703078E-12-6.97837519E+03 2.79382486E+01 DC5H10OOH-B 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1378.000 1.97619617E+01 2.51237235E-02-8.73586300E-06 1.37125464E-09-8.01665463E-14 -1.60405748E+04-7.30602183E+01 3.96384200E+00 5.42183007E-02-2.62672446E-05 4.65724194E-09 3.00460518E-14-9.67478947E+03 1.47219740E+01 DC5H10OOH-C 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1379.000 2.12375512E+01 2.31283536E-02-7.89600878E-06 1.22535095E-09-7.11019018E-14 -1.55928844E+04-8.11148886E+01 9.16725969E-01 6.72427603E-02-4.31327712E-05 1.34482819E-08-1.60817257E-12-8.23140321E+03 2.91620231E+01 A-AC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1371.000 1.80576624E+01 2.21664890E-02-7.87642300E-06 1.25444585E-09-7.40861328E-14 -2.50353632E+04-7.53718782E+01-3.12406832E+00 6.53619579E-02-3.97637688E-05 1.12697830E-08-1.18120030E-12-1.69737388E+04 4.07521583E+01 A-BC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1382.000 1.86652877E+01 2.13598734E-02-7.52975880E-06 1.19287800E-09-7.01891378E-14 -2.77496616E+04-7.75749394E+01-2.76334033E+00 7.23487211E-02-5.55616263E-05 2.25658441E-08-3.82992076E-12-2.02677933E+04 3.74075826E+01 A-CC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1373.000 1.87148832E+01 2.16122625E-02-7.68638433E-06 1.22492227E-09-7.23734176E-14 -2.74336223E+04-7.86661849E+01-3.51633623E+00 6.86975884E-02-4.46579237E-05 1.40670556E-08-1.74934766E-12-1.91663581E+04 4.25589840E+01 A-DC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1368.000 1.73081373E+01 2.28491250E-02-8.12276465E-06 1.29408434E-09-7.64438847E-14 -3.52062516E+04-7.10628522E+01-4.14429760E+00 6.51989562E-02-3.73536626E-05 9.22783007E-09-6.73298964E-13-2.69163477E+04 4.70167331E+01 B-CC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1385.000 1.92598600E+01 2.08099611E-02-7.32974772E-06 1.16055317E-09-6.82613470E-14 -3.00830774E+04-8.18004129E+01-3.37535249E+00 7.70352310E-02-6.28442248E-05 2.69389203E-08-4.75190161E-12-2.24367836E+04 3.87826632E+01 B-DC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1373.000 1.87653667E+01 2.15362849E-02-7.65224713E-06 1.21871934E-09-7.19753198E-14 -2.85747158E+04-8.06460279E+01-2.73108687E+00 6.70391324E-02-4.35138990E-05 1.38175873E-08-1.75593164E-12-2.05593275E+04 3.66133237E+01 C-DC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1383.000 1.85201884E+01 2.14489156E-02-7.55266486E-06 1.19562146E-09-7.03146400E-14 -2.65081886E+04-7.62917959E+01-3.17722836E+00 7.29625837E-02-5.57042158E-05 2.23478002E-08-3.73315078E-12-1.89470828E+04 4.01292996E+01 AC5H10OOH-AO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1386.000 2.50520466E+01 2.55131460E-02-8.91854409E-06 1.40493521E-09-8.23407399E-14 -3.33670748E+04-9.75894162E+01 2.05922284E+00 8.03984990E-02-6.08275771E-05 2.45850093E-08-4.16820391E-12-2.53523898E+04 2.57292878E+01 AC5H10OOH-BO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 2.57755531E+01 2.48880708E-02-8.70043618E-06 1.37061896E-09-8.03312626E-14 -3.65351712E+04-1.02781946E+02 2.02757055E+00 8.36374442E-02-6.66559936E-05 2.83390094E-08-4.99889009E-12-2.84620740E+04 2.38579305E+01 AC5H10OOH-CO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1388.000 2.56730505E+01 2.49303331E-02-8.70500104E-06 1.37028133E-09-8.02689026E-14 -3.58640167E+04-1.01305605E+02 1.45756134E+00 8.49861310E-02-6.78807784E-05 2.87769313E-08-5.04418958E-12-2.76727431E+04 2.77305067E+01 AC5H10OOH-DO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1386.000 2.50520466E+01 2.55131460E-02-8.91854409E-06 1.40493521E-09-8.23407399E-14 -3.33670748E+04-9.68999345E+01 2.05922284E+00 8.03984990E-02-6.08275771E-05 2.45850093E-08-4.16820391E-12-2.53523898E+04 2.64187695E+01 BC5H10OOH-AO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 2.57755531E+01 2.48880708E-02-8.70043618E-06 1.37061896E-09-8.03312626E-14 -3.65351712E+04-1.02781946E+02 2.02757055E+00 8.36374442E-02-6.66559936E-05 2.83390094E-08-4.99889009E-12-2.84620740E+04 2.38579305E+01 BC5H10OOH-CO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1390.000 2.63952675E+01 2.43055030E-02-8.48674313E-06 1.33591350E-09-7.82551637E-14 -3.90346893E+04-1.07185707E+02 1.10269679E+00 8.96149117E-02-7.57659375E-05 3.37962095E-08-6.15184496E-12-3.07320340E+04 2.66826386E+01 BC5H10OOH-DO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 2.57755531E+01 2.48880708E-02-8.70043618E-06 1.37061896E-09-8.03312626E-14 -3.65351712E+04-1.03471427E+02 2.02757055E+00 8.36374442E-02-6.66559936E-05 2.83390094E-08-4.99889009E-12-2.84620740E+04 2.31684489E+01 CC5H10OOH-AO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1388.000 2.56730505E+01 2.49303331E-02-8.70500104E-06 1.37028133E-09-8.02689026E-14 -3.58640167E+04-1.01305605E+02 1.45756134E+00 8.49861310E-02-6.78807784E-05 2.87769313E-08-5.04418958E-12-2.76727431E+04 2.77305067E+01 CC5H10OOH-BO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1390.000 2.63952675E+01 2.43055030E-02-8.48674313E-06 1.33591350E-09-7.82551637E-14 -3.90346893E+04-1.07185707E+02 1.10269679E+00 8.96149117E-02-7.57659375E-05 3.37962095E-08-6.15184496E-12-3.07320340E+04 2.66826386E+01 CC5H10OOH-DO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1388.000 2.56730505E+01 2.49303331E-02-8.70500104E-06 1.37028133E-09-8.02689026E-14 -3.58640167E+04-1.01305605E+02 1.45756134E+00 8.49861310E-02-6.78807784E-05 2.87769313E-08-5.04418958E-12-2.76727431E+04 2.77305067E+01 DC5H10OOH-AO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1386.000 2.50520466E+01 2.55131460E-02-8.91854409E-06 1.40493521E-09-8.23407399E-14 -3.33670748E+04-9.68999345E+01 2.05922284E+00 8.03984990E-02-6.08275771E-05 2.45850093E-08-4.16820391E-12-2.53523898E+04 2.64187695E+01 DC5H10OOH-BO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 2.57755531E+01 2.48880708E-02-8.70043618E-06 1.37061896E-09-8.03312626E-14 -3.65351712E+04-1.03471427E+02 2.02757055E+00 8.36374442E-02-6.66559936E-05 2.83390094E-08-4.99889009E-12-2.84620740E+04 2.31684489E+01 DC5H10OOH-CO2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1388.000 2.56730505E+01 2.49303331E-02-8.70500104E-06 1.37028133E-09-8.02689026E-14 -3.58640167E+04-1.01305605E+02 1.45756134E+00 8.49861310E-02-6.78807784E-05 2.87769313E-08-5.04418958E-12-2.76727431E+04 2.77305067E+01 IC5KETAA 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1388.000 2.27018201E+01 2.27623983E-02-7.95317701E-06 1.25254826E-09-7.33995564E-14 -4.88049225E+04-8.74481434E+01 5.36600103E-01 7.50896887E-02-5.59977257E-05 2.17307506E-08-3.48563492E-12-4.11064564E+04 3.14936271E+01 IC5KETAB 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1389.000 2.40842006E+01 2.16434154E-02-7.58091068E-06 1.19599268E-09-7.01732329E-14 -5.18763832E+04-9.75616536E+01 9.90030235E-01 7.52486642E-02-5.50772372E-05 2.03582394E-08-3.04665058E-12-4.38361216E+04 2.65683915E+01 IC5KETAC 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1391.000 2.34683563E+01 2.20730486E-02-7.70715635E-06 1.21330946E-09-7.10816173E-14 -5.13782035E+04-9.20403381E+01 1.99303977E-01 7.83179542E-02-6.05722648E-05 2.41968274E-08-3.95435215E-12-4.34638912E+04 3.22981679E+01 IC5KETAD 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1388.000 2.27018201E+01 2.27623983E-02-7.95317701E-06 1.25254826E-09-7.33995564E-14 -4.88049225E+04-8.74481434E+01 5.36600103E-01 7.50896887E-02-5.59977257E-05 2.17307506E-08-3.48563492E-12-4.11064564E+04 3.14936271E+01 IC5KETCA 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1386.000 2.23936225E+01 2.30830714E-02-8.07739965E-06 1.27340111E-09-7.46743612E-14 -5.25460012E+04-8.64630973E+01 5.01026913E-01 7.32093413E-02-5.22315114E-05 1.91893861E-08-2.91025524E-12-4.47901692E+04 3.15622880E+01 IC5KETCB 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1387.000 2.38381050E+01 2.19492828E-02-7.70845830E-06 1.21824528E-09-7.15652458E-14 -5.56527505E+04-9.76513664E+01 2.97401995E-01 7.64035840E-02-5.58642785E-05 2.06570759E-08-3.10185324E-12-4.74239290E+04 2.89698043E+01 IC5KETCD 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1383.000 2.22445195E+01 2.32429375E-02-8.13939936E-06 1.28375132E-09-7.53028874E-14 -5.25016214E+04-8.53496595E+01 2.27135608E+00 6.77725287E-02-4.64127889E-05 1.65517953E-08-2.47901257E-12-4.52485605E+04 2.28504134E+01 IC5KETDA 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1385.000 2.23748861E+01 2.30141606E-02-8.03341343E-06 1.26431338E-09-7.40516168E-14 -4.87803738E+04-8.53457562E+01 2.45487380E+00 6.89562352E-02-4.94614671E-05 1.87791829E-08-3.00201291E-12-4.16944571E+04 2.20317500E+01 IC5KETDB 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1386.000 2.30963831E+01 2.24125490E-02-7.82820477E-06 1.23251010E-09-7.22086331E-14 -5.19506233E+04-9.19136638E+01 2.39215811E+00 7.23979537E-02-5.56527262E-05 2.27957429E-08-3.89778838E-12-4.48011749E+04 1.89118954E+01 IC5KETDC 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1390.000 2.35511020E+01 2.20370496E-02-7.70229869E-06 1.21333612E-09-7.11148382E-14 -5.11090402E+04-9.29911716E+01 4.19611403E-02 7.96221577E-02-6.28755971E-05 2.57640021E-08-4.32179573E-12-4.31706563E+04 3.23917806E+01 AC5H10OH 6/25/99 THERMC 5H 11O 1 0G 300.000 5000.000 1381.000 1.57053942E+01 2.55921700E-02-8.70811298E-06 1.34716260E-09-7.79628294E-14 -2.25377771E+04-5.15555174E+01 3.09642922E+00 4.68661615E-02-1.83869508E-05

SUPPLEMENTAL MATERIAL 8.20832987E-10 7.67460794E-13-1.72846429E+04 1.91578923E+01 BC5H10OH 6/25/99 THERMC 5H 11O 1 0G 300.000 5000.000 1387.000 1.61657616E+01 2.54934476E-02-8.73565162E-06 1.35763483E-09-7.88148800E-14 -2.48317907E+04-5.58394716E+01 2.52157061E+00 5.18237668E-02-2.65312746E-05 6.10515255E-09-4.32512771E-13-1.94355870E+04 1.95767452E+01 CC5H10OH 6/25/99 THERMC 5H 11O 1 0G 300.000 5000.000 1374.000 1.78146436E+01 2.31777549E-02-7.76038398E-06 1.18900766E-09-6.83934164E-14 -2.24543185E+04-6.48614694E+01 2.04135308E-01 5.88299650E-02-3.24898705E-05 7.50026128E-09-3.65893927E-13-1.58607468E+04 3.15479677E+01 AO2C5H10OH 6/25/99 THERMC 5H 11O 3 0G 300.000 5000.000 1398.000 2.08105945E+01 2.58369830E-02-8.76925603E-06 1.35402215E-09-7.82456030E-14 -4.24674273E+04-7.60944497E+01 2.38199108E+00 7.18375133E-02-5.42641346E-05 2.24041452E-08-3.86885861E-12-3.62744244E+04 2.19774449E+01 BO2C5H10OH 6/25/99 THERMC 5H 11O 3 0G 300.000 5000.000 1400.000 2.16076261E+01 2.51801329E-02-8.54720351E-06 1.31983972E-09-7.62748525E-14 -4.48761977E+04-8.15577009E+01 1.52617651E+00 7.75488797E-02-6.26549788E-05 2.73021817E-08-4.88654203E-12-3.83722486E+04 2.44808615E+01 CO2C5H10OH 6/25/99 THERMC 5H 11O 3 0G 300.000 5000.000 1397.000 2.08408570E+01 2.59206320E-02-8.82353537E-06 1.36524107E-09-7.90130782E-14 -4.19808071E+04-7.66306291E+01 1.89146646E+00 7.16579256E-02-5.21095309E-05 2.04539389E-08-3.36389081E-12-3.54813599E+04 2.47261361E+01 IC3H5COCH3 11/14/95 THERC 5H 8O 1 0G 300.000 5000.000 1389.000 1.57135746E+01 1.94104717E-02-6.71160542E-06 1.04957119E-09-6.12003730E-14 -2.65071075E+04-5.72269076E+01 8.09246454E-01 5.28377081E-02-3.55040712E-05 1.24787059E-08-1.83544455E-12-2.11322752E+04 2.34120820E+01 IC3H5COCH2 11/14/95 THERC 5H 7O 1 0G 300.000 5000.000 1391.000 1.70407321E+01 1.59214786E-02-5.55063598E-06 8.72891334E-10-5.10998924E-14 -5.41848521E+03-6.39228376E+01 5.48800712E-01 5.64406935E-02-4.45492244E-05 1.83208797E-08-3.08879949E-12 1.42569300E+02 2.39985123E+01 AC3H4COCH3 2/22/96 THERMC 5H 7O 1 0G 300.000 5000.000 1389.000 1.56880361E+01 1.74310098E-02-6.05676510E-06 9.50342951E-10-5.55458474E-14 -8.66309058E+03-5.67277584E+01-3.84131406E-01 5.59167204E-02-4.21424901E-05 1.67314239E-08-2.75664106E-12-3.12232942E+03 2.93464240E+01 IC6H14 7/19/ 0 THERMC 6H 14 0 0G 300.000 5000.000 1392.000 1.89218968E+01 3.07714665E-02-1.05523935E-05 1.64094307E-09-9.53043216E-14 -3.13407083E+04-7.68880761E+01-1.49039355E+00 7.49783888E-02-4.66434710E-05 1.49348963E-08-1.97251090E-12-2.38232544E+04 3.41061153E+01 AC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1392.000 1.85074039E+01 2.86218271E-02-9.82105187E-06 1.52783880E-09-8.87609934E-14 -6.27646161E+03-7.18043432E+01-7.21275521E-01 7.04218954E-02-4.41509022E-05 1.42843117E-08-1.91164474E-12 7.89482151E+02 3.26985381E+01 BC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1381.000 1.69842194E+01 2.99437985E-02-1.02829375E-05 1.60051599E-09-9.30152113E-14 -8.09389237E+03-6.29779897E+01 2.41481893E+00 5.37101055E-02-2.00895084E-05 2.38811969E-10 1.01694001E-12-1.90401203E+03 1.90832462E+01 CC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1385.000 1.82241682E+01 2.84884867E-02-9.69800610E-06 1.50105127E-09-8.69082914E-14 -7.58413810E+03-6.97809262E+01-3.90316852E-01 6.59532054E-02-3.61095592E-05 8.79473910E-09-6.27301518E-13-5.05045378E+02 3.23470949E+01 DC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1385.000 1.82241682E+01 2.84884867E-02-9.69800610E-06 1.50105127E-09-8.69082914E-14 -7.58413810E+03-6.97809262E+01-3.90316852E-01 6.59532054E-02-3.61095592E-05 8.79473910E-09-6.27301518E-13-5.05045378E+02 3.23470949E+01 EC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1392.000 1.85074039E+01 2.86218271E-02-9.82105187E-06 1.52783880E-09-8.87609934E-14 -6.27646161E+03-7.18043432E+01-7.21275521E-01 7.04218954E-02-4.41509022E-05 1.42843117E-08-1.91164474E-12 7.89482151E+02 3.26985381E+01 AC6H12 4/ 7/97 THERMC 6H 12 0 0G 300.000 5000.000 1391.000 1.77919314E+01 2.68882975E-02-9.17597563E-06 1.42232776E-09-8.24250741E-14 -1.59089099E+04-6.89733605E+01-5.11775170E-01 6.75515839E-02-4.35931315E-05 1.47174635E-08-2.07208823E-12-9.28196280E+03 3.01733384E+01 BC6H12 4/ 7/97 THERMC 6H 12 0 0G 300.000 5000.000 1389.000 1.73194968E+01 2.73143455E-02-9.32825404E-06 1.44663699E-09-8.38619242E-14 -1.72536853E+04-6.67708402E+01 6.61236759E-03 6.41016647E-02-3.85052017E-05 1.17598218E-08-1.46218293E-12-1.08021940E+04 2.76294362E+01 CC6H12 4/ 7/97 THERMC 6H 12 0 0G 300.000 5000.000 1393.000 1.72953713E+01 2.74904466E-02-9.42213872E-06 1.46464229E-09-8.50427572E-14 -1.65683634E+04-6.72858572E+01-1.31890347E+00 6.85974519E-02-4.39881674E-05 1.47291905E-08-2.05794505E-12-9.79395525E+03 3.36472333E+01 DC6H12 4/ 7/97 THERMC 6H 12 0 0G 300.000 5000.000 1393.000 1.78016854E+01 2.70503442E-02-9.26880883E-06 1.44060726E-09-8.36409602E-14 -1.53895390E+04-6.97378005E+01-1.91003140E+00 7.20913803E-02-4.89283154E-05 1.75436586E-08-2.63338518E-12-8.38084939E+03 3.65870879E+01 AC6H11-A2 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1395.000 1.82026718E+01 2.44812048E-02-8.35996384E-06 1.29643763E-09-7.51546950E-14 2.33876532E+03-7.13491902E+01-1.47932805E+00 7.22802333E-02-5.37942381E-05 2.13741487E-08-3.53072969E-12 9.04209177E+03 3.37929715E+01 AC6H11-C 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1391.000 1.73925747E+01 2.51953840E-02-8.61283764E-06 1.33664647E-09-7.75275756E-14 1.18586639E+03-6.80542016E+01-8.34480314E-01 6.59130188E-02-4.31921071E-05 1.46901865E-08-2.06602701E-12 7.74317615E+03 3.05654616E+01 AC6H11-D 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1382.000 1.71796835E+01 2.44946059E-02-8.27862597E-06 1.27550777E-09-7.36249381E-14 7.79910800E+03-6.23751670E+01 6.93336063E-01 5.79431818E-02-3.20806649E-05 7.93413671E-09-5.82122675E-13 1.40234096E+04 2.79516628E+01 AC6H11-E 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1391.000 1.73660563E+01 2.47543194E-02-8.45119156E-06 1.31035396E-09-7.59514758E-14 9.16086456E+03-6.38235508E+01 2.49943006E-01 6.30361731E-02-4.11725030E-05 1.41157447E-08-2.02238094E-12 1.53316983E+04 2.87984616E+01 BC6H11-E 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1389.000 1.68955004E+01 2.51788753E-02-8.60298588E-06 1.33459142E-09-7.73843192E-14 7.81519433E+03-6.16322155E+01 7.63030919E-01 5.96101310E-02-3.61175604E-05 1.11772823E-08-1.41652007E-12 1.38122414E+04 2.62789403E+01 CC6H11-A 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1393.000 1.68710453E+01 2.53547639E-02-8.69680328E-06 1.35259585E-09-7.85657713E-14 8.49347715E+03-6.21614459E+01-6.89878647E-01 6.45561830E-02-4.21978643E-05 1.44919783E-08-2.08520825E-12 1.48430791E+04 3.29119720E+01 CC6H11-B 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1381.000 1.53461030E+01 2.66654957E-02-9.15202584E-06 1.42394531E-09-8.27311194E-14 6.58175430E+03-5.26161906E+01 2.54157024E+00 4.74614479E-02-1.75984466E-05 1.18844602E-10 9.15595617E-13 1.20333815E+04 1.95409169E+01 DC6H11-A 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1393.000 1.73789104E+01 2.49141494E-02-8.54341211E-06 1.32855830E-09-7.71639569E-14 9.67894432E+03-6.46052754E+01-1.12223791E+00 6.74746771E-02-4.63673789E-05 1.68609510E-08-2.56700270E-12 1.62284521E+04 3.50882911E+01 DC6H11-B 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1383.000 1.58183507E+01 2.62602278E-02-9.01167647E-06 1.40200988E-09-8.14536996E-14 7.78480177E+03-5.48493603E+01 2.17247229E+00 5.00897603E-02-2.13555213E-05 2.23928273E-09 4.88373356E-13 1.34096122E+04 2.14270725E+01 DC6H11-C 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1393.000 1.74048492E+01 2.53567462E-02-8.70574279E-06 1.35496821E-09-7.87471431E-14 1.70459201E+03-6.88324069E+01-2.22322509E+00 7.04264966E-02-4.84953119E-05 1.74996623E-08-2.62417843E-12 8.64237252E+03 3.69315857E+01 AC6H11O-C 5/14/ 3 THERMC 6H 11O 1 0G 300.000 5000.000 1392.000 2.17573736E+01 2.26921265E-02-7.57004024E-06 1.15702912E-09-6.64430705E-14 -1.05744435E+04-8.69130537E+01-1.82035418E+00 8.07063934E-02-6.22831139E-05 2.46330602E-08-3.92390793E-12-2.77247206E+03 3.85201862E+01 CC6H11O-B 5/14/ 3 THERMC 6H 11O 1 0G 300.000 5000.000 1393.000 2.11955687E+01 2.29701980E-02-7.62227789E-06 1.16065576E-09-6.64715930E-14 -1.29306307E+04-8.49746291E+01-1.17967324E+00 7.81909883E-02-5.99795020E-05 2.37932961E-08-3.81853229E-12-5.53273660E+03 3.40198543E+01 DC6H11O-C 5/14/ 3 THERMC 6H 11O 1 0G 300.000 5000.000 1393.000 2.13806432E+01 2.30378839E-02-7.69358197E-06 1.17665055E-09-6.75959737E-14 -9.83646408E+03-8.52880631E+01-2.76652098E+00 8.36848075E-02-6.65178286E-05 2.72840686E-08-4.51819629E-12-1.94611129E+03 4.27763392E+01 AC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1388.000 2.22886148E+01 3.03910052E-02-1.05002476E-05 1.64107136E-09-9.56472508E-14 -2.54266277E+04-8.69083127E+01 8.34467457E-01 7.86137067E-02-5.27315598E-05 1.89843054E-08-2.92332318E-12-1.76362853E+04 2.92377865E+01 BC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1389.000 2.30458742E+01 2.97706645E-02-1.02910769E-05 1.60890361E-09-9.37931246E-14 -2.86118730E+04-9.36845710E+01 3.72940700E-01 8.39343109E-02-6.17679663E-05 2.47759515E-08-4.21198306E-12-2.06857939E+04 2.79465910E+01 CC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1391.000 2.30489841E+01 2.97247024E-02-1.02659461E-05 1.60404020E-09-9.34727049E-14 -2.79933031E+04-9.21493647E+01-2.03646110E-01 8.52144048E-02-6.26174151E-05 2.48590257E-08-4.16108078E-12-1.98941133E+04 3.25528387E+01 DC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1391.000 2.30489841E+01 2.97247024E-02-1.02659461E-05 1.60404020E-09-9.34727049E-14 -2.79933031E+04-9.21493647E+01-2.03646110E-01 8.52144048E-02-6.26174151E-05 2.48590257E-08-4.16108078E-12-1.98941133E+04 3.25528387E+01 EC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1388.000 2.22886148E+01 3.03910052E-02-1.05002476E-05 1.64107136E-09-9.56472508E-14 -2.54266277E+04-8.75977943E+01 8.34467457E-01 7.86137067E-02-5.27315598E-05 1.89843054E-08-2.92332318E-12-1.76362853E+04 2.92377865E+01 AC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1389.000 2.47461206E+01 3.05690659E-02-1.05953546E-05 1.65960757E-09-9.68816760E-14 -4.33414991E+04-1.01183435E+02-1.20894077E-01 8.74189534E-02-6.08632828E-05 2.22596283E-08-3.40642319E-12-3.44864717E+04 3.29679757E+01 BC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1390.000 2.54796383E+01 2.99619917E-02-1.03892563E-05 1.62776466E-09-9.50402644E-14 -4.65182816E+04-1.07822133E+02-3.84745299E-01 9.17687045E-02-6.84094717E-05 2.71147158E-08-4.48681570E-12-3.75631793E+04 3.07815919E+01 CC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1391.000 2.55587244E+01 2.98820202E-02-1.03593281E-05 1.62288897E-09-9.47493818E-14 -4.59453915E+04-1.06761756E+02-1.14502692E+00 9.38036145E-02-7.02030825E-05 2.77175376E-08-4.54282388E-12-3.67429144E+04 3.62469945E+01 DC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1391.000 2.55587244E+01 2.98820202E-02-1.03593281E-05 1.62288897E-09-9.47493818E-14 -4.59453915E+04-1.06761756E+02-1.14502692E+00 9.38036145E-02-7.02030825E-05 2.77175376E-08-4.54282388E-12-3.67429144E+04 3.62469945E+01 EC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1389.000 2.47461206E+01 3.05690659E-02-1.05953546E-05 1.65960757E-09-9.68816760E-14 -4.33414991E+04-1.01872917E+02-1.20894077E-01 8.74189534E-02-6.08632828E-05 2.22596283E-08-3.40642319E-12-3.44864717E+04 3.22784940E+01 AC6H13O 4/ 7/97 THERMC 6H 13O 1 0G 300.000 5000.000 1393.000 2.07407512E+01 2.90441793E-02-9.91898396E-06 1.53837787E-09-8.91896638E-14 -2.36717876E+04-8.14921659E+01-1.10169867E+00 7.88004918E-02-5.32440995E-05 1.87702513E-08-2.73867617E-12-1.59250624E+04 3.63224467E+01 BC6H13O 4/ 7/97 THERMC 6H 13O 1 0G 300.000 5000.000 1394.000 2.13738380E+01 2.86079827E-02-9.78961483E-06 1.52027435E-09-8.82167790E-14 -2.72183307E+04-8.71171285E+01-1.14499967E+00 8.22520492E-02-5.96240912E-05 2.30259070E-08-3.71004273E-12-1.94393923E+04 3.35584767E+01 CC6H13O 4/ 7/97 THERMC 6H 13O 1 0G 300.000 5000.000 1395.000 2.11457388E+01 2.89417927E-02-9.93473533E-06 1.54596808E-09-8.98334011E-14 -2.59818828E+04-8.47582294E+01-1.36089174E+00 8.20470838E-02-5.87205947E-05 2.23560537E-08-3.55684509E-12-1.81496958E+04 3.60430927E+01 DC6H13O 4/ 7/97 THERMC 6H 13O 1 0G 300.000 5000.000 1395.000 2.11457388E+01 2.89417927E-02-9.93473533E-06 1.54596808E-09-8.98334011E-14 -2.59818828E+04-8.47582294E+01-1.36089174E+00 8.20470838E-02-5.87205947E-05 2.23560537E-08-3.55684509E-12-1.81496958E+04 3.60430927E+01 EC6H13O 4/ 7/97 THERMC 6H 13O 1 0G 300.000 5000.000 1393.000 2.07407512E+01 2.90441793E-02-9.91898396E-06 1.53837787E-09-8.91896638E-14 -2.36717876E+04-8.21816475E+01-1.10169867E+00 7.88004918E-02-5.32440995E-05 1.87702513E-08-2.73867617E-12-1.59250624E+04 3.56329651E+01 AC6H12OOH-A 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1391.000 2.38246434E+01 2.90450598E-02-1.00277448E-05 1.56653591E-09-9.12780750E-14 -1.80301296E+04-9.35509613E+01 6.02574675E-01 8.32673333E-02-5.93683753E-05 2.24782247E-08-3.56775309E-12-9.87091858E+03 3.13292298E+01 AC6H12OOH-B 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1383.000 2.22730342E+01 3.03870349E-02-1.04955591E-05 1.64003275E-09-9.55755922E-14 -1.98338759E+04-8.34529412E+01 3.80080251E+00 6.62643795E-02-3.49049743E-05 8.19777702E-09-5.89157399E-13-1.25731075E+04 1.85330105E+01 AC6H12OOH-C 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1385.000 2.39678901E+01 2.81214950E-02-9.54524062E-06 1.47519132E-09-8.53429355E-14 -1.94647480E+04-9.34337612E+01 6.19077976E-01 7.99214719E-02-5.23921499E-05 1.71660536E-08-2.22974269E-12-1.11125632E+04 3.28879726E+01 AC6H12OOH-D 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1385.000 2.39678901E+01 2.81214950E-02-9.54524062E-06 1.47519132E-09-8.53429355E-14 -1.94647480E+04-9.34337612E+01 6.19077976E-01 7.99214719E-02-5.23921499E-05 1.71660536E-08-2.22974269E-12-1.11125632E+04 3.28879726E+01 AC6H12OOH-E 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1391.000 2.38246434E+01 2.90450598E-02-1.00277448E-05 1.56653591E-09-9.12780750E-14 -1.80301296E+04-9.35509613E+01 6.02574675E-01 8.32673333E-02-5.93683753E-05 2.24782247E-08-3.56775309E-12-9.87091858E+03 3.13292298E+01 BC6H12OOH-A 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1390.000 2.50724822E+01 2.77997156E-02-9.65221757E-06 1.51363792E-09-8.84322022E-14 -2.14566893E+04-1.02780100E+02 3.29972045E-01 8.74415478E-02-6.62416953E-05 2.66536336E-08-4.46547796E-12-1.29419028E+04 2.96284309E+01 BC6H12OOH-C 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1388.000 2.46364512E+01 2.78516374E-02-9.60212776E-06 1.49893237E-09-8.73034439E-14 -2.26854295E+04-9.94482796E+01 7.28467840E-01 8.27351038E-02-5.79477332E-05 2.10402680E-08-3.15464371E-12-1.42479989E+04 2.93605378E+01

SUPPLEMENTAL MATERIALBC6H12OOH-D 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1388.000 2.46364512E+01 2.78516374E-02-9.60212776E-06 1.49893237E-09-8.73034439E-14 -2.26854295E+04-9.94482796E+01 7.28467840E-01 8.27351038E-02-5.79477332E-05 2.10402680E-08-3.15464371E-12-1.42479989E+04 2.93605378E+01 BC6H12OOH-E 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1390.000 2.50724822E+01 2.77997156E-02-9.65221757E-06 1.51363792E-09-8.84322022E-14 -2.14566893E+04-1.02780100E+02 3.29972045E-01 8.74415478E-02-6.62416953E-05 2.66536336E-08-4.46547796E-12-1.29419028E+04 2.96284309E+01 CC6H12OOH-A 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1393.000 2.46479832E+01 2.83523340E-02-9.79054893E-06 1.52971933E-09-8.91435695E-14 -2.06402263E+04-9.87876973E+01-3.87242989E-01 8.94769453E-02-6.84012317E-05 2.77272752E-08-4.65547761E-12-1.21321341E+04 3.48606816E+01 CC6H12OOH-B 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1387.000 2.32505924E+01 2.95413171E-02-1.02009262E-05 1.59378181E-09-9.28733184E-14 -2.24879988E+04-9.06410149E+01 3.03536899E+00 7.17597670E-02-4.27623252E-05 1.26172983E-08-1.47486871E-12-1.48783197E+04 1.98514760E+01 CC6H12OOH-D 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1391.000 2.42094345E+01 2.81648927E-02-9.60770930E-06 1.48931625E-09-8.63248580E-14 -2.18243231E+04-9.57217843E+01 1.41333660E-01 8.42381612E-02-5.95986819E-05 2.18273225E-08-3.27602121E-12-1.34573123E+04 3.35824990E+01 CC6H12OOH-E 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1393.000 2.46479832E+01 2.83523340E-02-9.79054893E-06 1.52971933E-09-8.91435695E-14 -2.06402263E+04-9.91953470E+01-3.87242989E-01 8.94769453E-02-6.84012317E-05 2.77272752E-08-4.65547761E-12-1.21321341E+04 3.44530319E+01 DC6H12OOH-A 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1393.000 2.46479832E+01 2.83523340E-02-9.79054893E-06 1.52971933E-09-8.91435695E-14 -2.06402263E+04-9.87876973E+01-3.87242989E-01 8.94769453E-02-6.84012317E-05 2.77272752E-08-4.65547761E-12-1.21321341E+04 3.48606816E+01 DC6H12OOH-B 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1387.000 2.32505924E+01 2.95413171E-02-1.02009262E-05 1.59378181E-09-9.28733184E-14 -2.24879988E+04-9.06410149E+01 3.03536899E+00 7.17597670E-02-4.27623252E-05 1.26172983E-08-1.47486871E-12-1.48783197E+04 1.98514760E+01 DC6H12OOH-C 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1391.000 2.42094345E+01 2.81648927E-02-9.60770930E-06 1.48931625E-09-8.63248580E-14 -2.18243231E+04-9.57217843E+01 1.41333660E-01 8.42381612E-02-5.95986819E-05 2.18273225E-08-3.27602121E-12-1.34573123E+04 3.35824990E+01 DC6H12OOH-E 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1393.000 2.46479832E+01 2.83523340E-02-9.79054893E-06 1.52971933E-09-8.91435695E-14 -2.06402263E+04-9.91953470E+01-3.87242989E-01 8.94769453E-02-6.84012317E-05 2.77272752E-08-4.65547761E-12-1.21321341E+04 3.44530319E+01 EC6H12OOH-A 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1391.000 2.38246434E+01 2.90450598E-02-1.00277448E-05 1.56653591E-09-9.12780750E-14 -1.80301296E+04-9.38327932E+01 6.02574675E-01 8.32673333E-02-5.93683753E-05 2.24782247E-08-3.56775309E-12-9.87091858E+03 3.10473979E+01 EC6H12OOH-B 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1383.000 2.22730342E+01 3.03870349E-02-1.04955591E-05 1.64003275E-09-9.55755922E-14 -1.98338759E+04-8.59340686E+01 3.80080251E+00 6.62643795E-02-3.49049743E-05 8.19777702E-09-5.89157399E-13-1.25731075E+04 1.60518831E+01 EC6H12OOH-C 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1385.000 2.39678901E+01 2.81214950E-02-9.54524062E-06 1.47519132E-09-8.53429355E-14 -1.94647480E+04-9.52203742E+01 6.19077976E-01 7.99214719E-02-5.23921499E-05 1.71660536E-08-2.22974269E-12-1.11125632E+04 3.11013596E+01 EC6H12OOH-D 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1385.000 2.39678901E+01 2.81214950E-02-9.54524062E-06 1.47519132E-09-8.53429355E-14 -1.94647480E+04-9.52203742E+01 6.19077976E-01 7.99214719E-02-5.23921499E-05 1.71660536E-08-2.22974269E-12-1.11125632E+04 3.11013596E+01 A-AC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1377.000 1.99156255E+01 2.80570645E-02-9.60026024E-06 1.49237353E-09-8.67075947E-14 -2.84357664E+04-8.31912688E+01-3.74279744E+00 7.97317022E-02-5.20568139E-05 1.72011490E-08-2.31454215E-12-1.98116601E+04 4.52301269E+01 A-BC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1389.000 2.01913400E+01 2.79678511E-02-9.67421525E-06 1.51319597E-09-8.82456559E-14 -3.10796342E+04-8.36582432E+01-3.10440628E+00 8.56519536E-02-6.67488731E-05 2.81794043E-08-4.97055901E-12-2.31502350E+04 4.05751920E+01 A-CC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1380.000 2.05031109E+01 2.75383043E-02-9.41667271E-06 1.46321280E-09-8.49886231E-14 -3.07733281E+04-8.60159913E+01-4.39045510E+00 8.46657004E-02-5.98461680E-05 2.19749206E-08-3.34162903E-12-2.19772879E+04 4.81276344E+01 A-DC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1387.000 1.83058303E+01 3.04972378E-02-1.05653766E-05 1.65434326E-09-9.65500891E-14 -4.03848361E+04-7.42771902E+01-5.61084240E+00 8.62262193E-02-6.17311453E-05 2.38078703E-08-3.89555631E-12-3.19060340E+04 5.44880467E+01 A-EC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1367.000 2.15175540E+01 2.91706121E-02-1.03353528E-05 1.64305835E-09-9.69180513E-14 -4.32129219E+04-9.97465294E+01-5.11288591E+00 8.04260623E-02-4.35839293E-05 9.20918058E-09-2.77875684E-13-3.28206788E+04 4.72500548E+01 B-CC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1391.000 2.07412761E+01 2.75290409E-02-9.52862858E-06 1.49103485E-09-8.69768921E-14 -3.34094702E+04-8.76595310E+01-3.51600990E+00 8.95013099E-02-7.28932029E-05 3.19466518E-08-5.77980629E-12-2.53506807E+04 4.10125601E+01 B-DC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1387.000 2.03130107E+01 2.84953369E-02-9.90356879E-06 1.55407483E-09-9.08358605E-14 -3.40296335E+04-8.70860300E+01-4.25089771E+00 8.77021914E-02-6.65264184E-05 2.71034081E-08-4.63016987E-12-2.55266109E+04 4.44518241E+01 B-EC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1382.000 1.91074475E+01 2.92530040E-02-1.00249828E-05 1.55944067E-09-9.06288079E-14 -4.18461500E+04-8.05464349E+01-5.34010311E+00 8.58554974E-02-6.11209923E-05 2.31121032E-08-3.67533288E-12-3.31973464E+04 5.11171430E+01 C-DC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1393.000 2.06312589E+01 2.75569457E-02-9.52376040E-06 1.48876677E-09-8.67838672E-14 -3.21756961E+04-8.58717818E+01-3.97238580E+00 9.03638157E-02-7.34283609E-05 3.19635755E-08-5.73228171E-12-2.40253266E+04 4.46071744E+01 C-EC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1380.000 2.05031109E+01 2.75383043E-02-9.41667271E-06 1.46321280E-09-8.49886231E-14 -3.07733281E+04-8.67054730E+01-4.39045510E+00 8.46657004E-02-5.98461680E-05 2.19749206E-08-3.34162903E-12-2.19772879E+04 4.74381528E+01 D-EC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1391.000 2.00142775E+01 2.81386921E-02-9.73735947E-06 1.52346612E-09-8.88596091E-14 -2.98338928E+04-8.22104850E+01-3.32594188E+00 8.54921440E-02-6.58481787E-05 2.73996370E-08-4.76702147E-12-2.18606446E+04 4.23900139E+01 AC6H12OOH-AO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1386.000 2.81944355E+01 3.00615854E-02-1.04875563E-05 1.64988933E-09-9.66066390E-14 -3.74608344E+04-1.13044805E+02 1.90994260E+00 9.22595921E-02-6.86012221E-05 2.72407584E-08-4.54669754E-12-2.82525874E+04 2.81070553E+01 AC6H12OOH-BO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.89271559E+01 2.94309577E-02-1.02680195E-05 1.61539932E-09-9.45889937E-14 -4.06309771E+04-1.18977482E+02 1.81157149E+00 9.58505858E-02-7.49852502E-05 3.13487412E-08-5.45668191E-12-3.13537803E+04 2.58431145E+01 AC6H12OOH-CO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.88506302E+01 2.94513891E-02-1.02651937E-05 1.61392971E-09-9.44618214E-14 -3.99725235E+04-1.16276835E+02 1.23904003E+00 9.71891847E-02-7.61295268E-05 3.17070462E-08-5.48001953E-12-3.05638132E+04 3.11091141E+01 AC6H12OOH-DO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.88506302E+01 2.94513891E-02-1.02651937E-05 1.61392971E-09-9.44618214E-14 -3.99725235E+04-1.16276835E+02 1.23904003E+00 9.71891847E-02-7.61295268E-05 3.17070462E-08-5.48001953E-12-3.05638132E+04 3.11091141E+01 AC6H12OOH-EO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1386.000 2.81944355E+01 3.00615854E-02-1.04875563E-05 1.64988933E-09-9.66066390E-14 -3.74608344E+04-1.12355324E+02 1.90994260E+00 9.22595921E-02-6.86012221E-05 2.72407584E-08-4.54669754E-12-2.82525874E+04 2.87965370E+01 BC6H12OOH-AO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.89271559E+01 2.94309577E-02-1.02680195E-05 1.61539932E-09-9.45889937E-14 -4.06309771E+04-1.18977482E+02 1.81157149E+00 9.58505858E-02-7.49852502E-05 3.13487412E-08-5.45668191E-12-3.13537803E+04 2.58431145E+01 BC6H12OOH-CO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.97040749E+01 2.87284901E-02-1.00160771E-05 1.57505477E-09-9.21981850E-14 -4.31557205E+04-1.23511933E+02 1.45368471E+00 1.00222536E-01-8.21049759E-05 3.56979862E-08-6.38300014E-12-3.37369280E+04 2.65264078E+01 BC6H12OOH-DO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.97040749E+01 2.87284901E-02-1.00160771E-05 1.57505477E-09-9.21981850E-14 -4.31557205E+04-1.23511933E+02 1.45368471E+00 1.00222536E-01-8.21049759E-05 3.56979862E-08-6.38300014E-12-3.37369280E+04 2.65264078E+01 BC6H12OOH-EO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.89271559E+01 2.94309577E-02-1.02680195E-05 1.61539932E-09-9.45889937E-14 -4.06309771E+04-1.18977482E+02 1.81157149E+00 9.58505858E-02-7.49852502E-05 3.13487412E-08-5.45668191E-12-3.13537803E+04 2.58431145E+01 CC6H12OOH-AO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.88506302E+01 2.94513891E-02-1.02651937E-05 1.61392971E-09-9.44618214E-14 -3.99725235E+04-1.16276835E+02 1.23904003E+00 9.71891847E-02-7.61295268E-05 3.17070462E-08-5.48001953E-12-3.05638132E+04 3.11091141E+01 CC6H12OOH-BO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.97040749E+01 2.87284901E-02-1.00160771E-05 1.57505477E-09-9.21981850E-14 -4.31557205E+04-1.23511933E+02 1.45368471E+00 1.00222536E-01-8.21049759E-05 3.56979862E-08-6.38300014E-12-3.37369280E+04 2.65264078E+01 CC6H12OOH-DO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1391.000 2.95169325E+01 2.88320897E-02-1.00396340E-05 1.57746976E-09-9.22879651E-14 -4.24876393E+04-1.20938130E+02 6.88588952E-01 1.01595955E-01-8.28629861E-05 3.56740290E-08-6.30243653E-12-3.28938019E+04 3.21757015E+01 CC6H12OOH-EO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.88506302E+01 2.94513891E-02-1.02651937E-05 1.61392971E-09-9.44618214E-14 -3.99725235E+04-1.16966317E+02 1.23904003E+00 9.71891847E-02-7.61295268E-05 3.17070462E-08-5.48001953E-12-3.05638132E+04 3.04196325E+01 DC6H12OOH-AO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.88506302E+01 2.94513891E-02-1.02651937E-05 1.61392971E-09-9.44618214E-14 -3.99725235E+04-1.16276835E+02 1.23904003E+00 9.71891847E-02-7.61295268E-05 3.17070462E-08-5.48001953E-12-3.05638132E+04 3.11091141E+01 DC6H12OOH-BO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.97040749E+01 2.87284901E-02-1.00160771E-05 1.57505477E-09-9.21981850E-14 -4.31557205E+04-1.23511933E+02 1.45368471E+00 1.00222536E-01-8.21049759E-05 3.56979862E-08-6.38300014E-12-3.37369280E+04 2.65264078E+01 DC6H12OOH-CO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1391.000 2.95169325E+01 2.88320897E-02-1.00396340E-05 1.57746976E-09-9.22879651E-14 -4.24876393E+04-1.20938130E+02 6.88588952E-01 1.01595955E-01-8.28629861E-05 3.56740290E-08-6.30243653E-12-3.28938019E+04 3.21757015E+01 DC6H12OOH-EO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.88506302E+01 2.94513891E-02-1.02651937E-05 1.61392971E-09-9.44618214E-14 -3.99725235E+04-1.16966317E+02 1.23904003E+00 9.71891847E-02-7.61295268E-05 3.17070462E-08-5.48001953E-12-3.05638132E+04 3.04196325E+01 EC6H12OOH-AO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1386.000 2.81944355E+01 3.00615854E-02-1.04875563E-05 1.64988933E-09-9.66066390E-14 -3.74608344E+04-1.12355324E+02 1.90994260E+00 9.22595921E-02-6.86012221E-05 2.72407584E-08-4.54669754E-12-2.82525874E+04 2.87965370E+01 EC6H12OOH-BO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1387.000 2.89271559E+01 2.94309577E-02-1.02680195E-05 1.61539932E-09-9.45889937E-14 -4.06309771E+04-1.18977482E+02 1.81157149E+00 9.58505858E-02-7.49852502E-05 3.13487412E-08-5.45668191E-12-3.13537803E+04 2.58431145E+01 EC6H12OOH-CO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.88506302E+01 2.94513891E-02-1.02651937E-05 1.61392971E-09-9.44618214E-14 -3.99725235E+04-1.16966317E+02 1.23904003E+00 9.71891847E-02-7.61295268E-05 3.17070462E-08-5.48001953E-12-3.05638132E+04 3.04196325E+01 EC6H12OOH-DO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1389.000 2.88506302E+01 2.94513891E-02-1.02651937E-05 1.61392971E-09-9.44618214E-14 -3.99725235E+04-1.16966317E+02 1.23904003E+00 9.71891847E-02-7.61295268E-05 3.17070462E-08-5.48001953E-12-3.05638132E+04 3.04196325E+01 IC6KETAA 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1389.000 2.58488852E+01 2.72976729E-02-9.51569614E-06 1.49629215E-09-8.75872376E-14 -5.29010482E+04-1.02930598E+02 3.74926599E-01 8.69654251E-02-6.37599754E-05 2.43624904E-08-3.85595659E-12-4.40036669E+04 3.39373300E+01 IC6KETAB 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1389.000 2.72366376E+01 2.61665828E-02-9.13760798E-06 1.43865838E-09-8.42913377E-14 -5.59713777E+04-1.13067358E+02 8.36104238E-01 8.71222904E-02-6.28537855E-05 2.29996863E-08-3.41861134E-12-4.67354404E+04 2.89691344E+01 IC6KETAC 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1391.000 2.66965176E+01 2.65460731E-02-9.24984760E-06 1.45414398E-09-8.51078553E-14 -5.55104211E+04-1.07999392E+02 5.92746792E-03 9.03522036E-02-6.84252707E-05 2.68135408E-08-4.31053677E-12-4.63578700E+04 3.48793797E+01 IC6KETAD 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1391.000 2.66965176E+01 2.65460731E-02-9.24984760E-06 1.45414398E-09-8.51078553E-14 -5.55104211E+04-1.07999392E+02 5.92746792E-03 9.03522036E-02-6.84252707E-05 2.68135408E-08-4.31053677E-12-4.63578700E+04 3.48793797E+01 IC6KETAE 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1389.000 2.58488852E+01 2.72976729E-02-9.51569614E-06 1.49629215E-09-8.75872376E-14 -5.29010482E+04-1.02930598E+02 3.74926599E-01 8.69654251E-02-6.37599754E-05 2.43624904E-08-3.85595659E-12-4.40036669E+04 3.39373300E+01 IC6KETCA 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1386.000 2.54158893E+01 2.77142961E-02-9.66983106E-06 1.52140430E-09-8.90909745E-14 -5.66695529E+04-1.00871975E+02 6.41569938E-01 8.61306622E-02-6.38040371E-05 2.50715980E-08-4.12731276E-12-4.79925946E+04 3.22052414E+01 IC6KETCB 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1387.000 2.68298718E+01 2.65743988E-02-9.29166512E-06 1.46406502E-09-8.58245747E-14 -5.97543488E+04-1.11856808E+02 8.68698184E-01 8.73553612E-02-6.44754197E-05 2.46810718E-08-3.90390558E-12-5.06899308E+04 2.76296921E+01 IC6KETCD 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1391.000

SUPPLEMENTAL MATERIAL 2.66792669E+01 2.66782564E-02-9.32197006E-06 1.46820523E-09-8.60413011E-14 -5.90485216E+04-1.09051959E+02-2.05481820E+00 9.79306262E-02-7.86642775E-05 3.28512253E-08-5.60814214E-12-4.94233986E+04 4.39048904E+01 IC6KETCE 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1386.000 2.54158893E+01 2.77142961E-02-9.66983106E-06 1.52140430E-09-8.90909745E-14 -5.66695529E+04-1.01561456E+02 6.41569938E-01 8.61306622E-02-6.38040371E-05 2.50715980E-08-4.12731276E-12-4.79925946E+04 3.15157597E+01 IC6KETDA 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1384.000 2.52497489E+01 2.78620064E-02-9.72231486E-06 1.52976157E-09-8.95844320E-14 -5.66360467E+04-1.00065747E+02 1.83514649E+00 8.09402473E-02-5.64766392E-05 2.07650813E-08-3.21928803E-12-4.82146787E+04 2.64766089E+01 IC6KETDB 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1386.000 2.59777118E+01 2.72538189E-02-9.51458711E-06 1.49753812E-09-8.77158651E-14 -5.98077739E+04-1.06664115E+02 1.72626321E+00 8.46094492E-02-6.30145215E-05 2.49960736E-08-4.16196817E-12-5.13150818E+04 2.35706116E+01 IC6KETDC 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1389.000 2.64303679E+01 2.68827253E-02-9.39079843E-06 1.47875769E-09-8.66475606E-14 -5.89666170E+04-1.07732369E+02-6.11745199E-01 9.17681500E-02-7.01346114E-05 2.79014354E-08-4.57253918E-12-4.96860759E+04 3.69965420E+01 IC6KETDE 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1382.000 2.50888983E+01 2.80399855E-02-9.79237470E-06 1.54155954E-09-9.03049561E-14 -5.65924448E+04-9.88965665E+01 3.60912667E+00 7.54178344E-02-5.04991822E-05 1.80269691E-08-2.76659120E-12-4.86715677E+04 1.77632445E+01 IC6KETEA 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1386.000 2.55358096E+01 2.75241221E-02-9.58418843E-06 1.50590925E-09-8.81014540E-14 -5.28763681E+04-1.00895794E+02 2.25107769E+00 8.10680080E-02-5.75889388E-05 2.16285728E-08-3.41756700E-12-4.45867819E+04 2.46594756E+01 IC6KETEB 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1387.000 2.62491576E+01 2.69378350E-02-9.38607764E-06 1.47539873E-09-8.63410992E-14 -5.60444852E+04-1.07419672E+02 2.21224686E+00 8.44098088E-02-6.36457574E-05 2.55733536E-08-4.29978327E-12-4.76972323E+04 2.14279571E+01 IC6KETEC 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1388.000 2.61179757E+01 2.70167901E-02-9.40601228E-06 1.47774111E-09-8.64460947E-14 -5.53643135E+04-1.05093935E+02 1.70707679E+00 8.54544631E-02-6.44512331E-05 2.57780324E-08-4.29869192E-12-4.69169854E+04 2.56945670E+01 IC6KETED 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1370.000 2.79333426E+01 2.62176323E-02-9.30277179E-06 1.48022634E-09-8.73635870E-14 -5.55650583E+04-1.05709367E+02 3.94509667E+00 7.37223322E-02-4.23503736E-05 1.06297496E-08-8.23353428E-13-4.63037398E+04 2.62853661E+01 AC6H12OH 6/25/99 THERMC 6H 13O 1 0G 300.000 5000.000 1383.000 1.88589384E+01 3.01082092E-02-1.02608505E-05 1.58904396E-09-9.20282400E-14 -2.66653056E+04-6.77508959E+01 2.90619357E+00 5.89197529E-02-2.64402860E-05 3.63000767E-09 3.59958386E-13-2.02142331E+04 2.10332654E+01 BC6H12OH 6/25/99 THERMC 6H 13O 1 0G 300.000 5000.000 1389.000 1.93625920E+01 2.99247433E-02-1.02489923E-05 1.59234329E-09-9.24223276E-14 -2.89758960E+04-7.15907320E+01 2.27503088E+00 6.39194996E-02-3.43984268E-05 8.66314272E-09-7.60664050E-13-2.23514492E+04 2.24436204E+01 CC6H12OH 6/25/99 THERMC 6H 13O 1 0G 300.000 5000.000 1393.000 2.04108976E+01 2.86937403E-02-9.75365407E-06 1.50802716E-09-8.72411786E-14 -2.83976970E+04-7.73133764E+01-3.71027465E-01 7.53088781E-02-4.93062368E-05 1.66519291E-08-2.30160402E-12-2.09707208E+04 3.50110181E+01 DC6H12OH 6/25/99 THERMC 6H 13O 1 0G 300.000 5000.000 1378.000 2.10478314E+01 2.73105222E-02-9.11622264E-06 1.39380538E-09-8.00544087E-14 -2.65542518E+04-8.06613243E+01-9.37258243E-02 7.14648932E-02-4.16282189E-05 1.09210643E-08-8.83235060E-13-1.87756580E+04 3.45957422E+01 AO2C6H12OH 6/25/99 THERMC 6H 13O 3 0G 300.000 5000.000 1397.000 2.39788719E+01 3.03327501E-02-1.03135333E-05 1.59444929E-09-9.22215219E-14 -4.66011925E+04-9.16845072E+01 2.19803044E+00 8.38531467E-02-6.22378700E-05 2.51513379E-08-4.26067518E-12-3.92047865E+04 2.45148429E+01 BO2C6H12OH 6/25/99 THERMC 6H 13O 3 0G 300.000 5000.000 1399.000 2.48156212E+01 2.96595983E-02-1.00897658E-05 1.56041039E-09-9.02759019E-14 -4.90334490E+04-9.73944599E+01 1.35986533E+00 8.94425806E-02-7.03258016E-05 2.98163915E-08-5.22129184E-12-4.13046962E+04 2.69425363E+01 CO2C6H12OH 6/25/99 THERMC 6H 13O 3 0G 300.000 5000.000 1398.000 2.48617108E+01 2.97714966E-02-1.01628873E-05 1.57550811E-09-9.13068629E-14 -4.85661398E+04-9.73633260E+01 9.24402007E-01 8.89602470E-02-6.76215954E-05 2.75082292E-08-4.63770474E-12-4.05187776E+04 3.01358348E+01 DO2C6H12OH 6/25/99 THERMC 6H 13O 3 0G 300.000 5000.000 1396.000 2.40099482E+01 3.04148777E-02-1.03671145E-05 1.60554200E-09-9.29809750E-14 -4.61148094E+04-9.22250965E+01 1.70637540E+00 8.36781427E-02-6.00890572E-05 2.32038462E-08-3.75613606E-12-3.84115428E+04 2.72688424E+01 NC4H9CHO-2 2/22/96 THERMC 5H 10O 1 0G 300.000 5000.000 1391.000 1.69244029E+01 2.27967487E-02-7.82457147E-06 1.21768953E-09-7.07667159E-14 -3.67938100E+04-6.26596828E+01-4.69476821E-01 6.10365582E-02-3.93185264E-05 1.27871427E-08-1.67312587E-12-3.04986281E+04 3.16306095E+01 NC4H9CO-2 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1391.000 1.65046133E+01 2.06717230E-02-7.10606869E-06 1.10703434E-09-6.43837568E-14 -1.78307059E+04-5.87348799E+01 3.09679439E-01 5.62169200E-02-3.62405588E-05 1.17086749E-08-1.50946127E-12-1.19711457E+04 2.90643292E+01 C4H8CHO1-2 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1391.000 1.64744483E+01 2.07138328E-02-7.12390788E-06 1.11013747E-09-6.45764979E-14 -1.17192213E+04-5.73839435E+01 3.46935480E-01 5.62869708E-02-3.65790464E-05 1.20191548E-08-1.59330793E-12-5.89336830E+03 3.00011649E+01 C4H8CHO2-2 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1386.000 1.66751077E+01 2.06549942E-02-7.12754811E-06 1.11313803E-09-6.48477026E-14 -1.73708434E+04-6.08628338E+01 1.91588404E+00 5.23527744E-02-3.27262947E-05 1.04277236E-08-1.36532577E-12-1.19042543E+04 1.94954948E+01 C4H8CHO3-2 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 2025.000 1.46259201E+01 2.24057328E-02-7.81917608E-06 1.23707904E-09-7.28997923E-14 -1.20218226E+04-4.59134789E+01 2.34261141E-01 5.39556025E-02-3.19259649E-05 8.72507892E-09-8.35474916E-13-7.12477902E+03 3.16723623E+01 C4H8CHO4-2 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1391.000 1.64744483E+01 2.07138328E-02-7.12390788E-06 1.11013747E-09-6.45764979E-14 -1.17192213E+04-5.73839435E+01 3.46935480E-01 5.62869708E-02-3.65790464E-05 1.20191548E-08-1.59330793E-12-5.89336830E+03 3.00011649E+01 IC4H9CHO 2/22/96 THERMC 5H 10O 1 0G 300.000 5000.000 1383.000 1.70194059E+01 2.23541546E-02-7.59760895E-06 1.17496754E-09-6.79975164E-14 -3.69143302E+04-6.35871575E+01 8.61033163E-01 5.73441683E-02-3.59178644E-05 1.13951893E-08-1.46205706E-12-3.09951354E+04 2.42264151E+01 IC4H9CO 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1381.000 1.66912451E+01 2.00750158E-02-6.81146431E-06 1.05242707E-09-6.08743184E-14 -1.79850312E+04-6.01715526E+01 1.62335066E+00 5.25605407E-02-3.28103015E-05 1.02340893E-08-1.26866743E-12-1.24643454E+04 2.17446946E+01 IC3H6CH2CHO 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 1379.000 1.68308524E+01 1.98251371E-02-6.70063133E-06 1.03289145E-09-5.96563130E-14 -1.19347938E+04-5.97602900E+01 1.62226272E+00 5.27363584E-02-3.31656280E-05 1.04384787E-08-1.30786935E-12-6.37949935E+03 2.28700619E+01 TC3H6CH2CHO 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 2007.000 1.28694305E+01 2.43877237E-02-8.60077074E-06 1.36840737E-09-8.08920178E-14 -1.24988438E+04-3.65810598E+01 4.51456221E+00 3.77870194E-02-1.29518975E-05 -4.00055644E-10 7.37921847E-13-9.15122261E+03 1.02678013E+01 IC3H7CHCHO 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1390.000 1.68247016E+01 2.04825673E-02-7.05877343E-06 1.10149429E-09-6.41348599E-14 -1.66830714E+04-6.30167084E+01 3.71329670E-01 5.76362731E-02-3.90796092E-05 1.37027563E-08-1.98345884E-12-1.08082975E+04 2.58578771E+01 IC5H11CHO 2/22/96 THERMC 6H 12O 1 0G 300.000 5000.000 1384.000 2.02213198E+01 2.67705370E-02-9.10366728E-06 1.40833319E-09-8.15189632E-14 -4.10189998E+04-7.93504931E+01 5.96448184E-01 6.97017613E-02-4.43706862E-05 1.43995034E-08-1.90197727E-12-3.38776822E+04 2.71403402E+01 IC5H11CO 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1383.000 1.98188304E+01 2.46169767E-02-8.37269097E-06 1.29548967E-09-7.49998110E-14 -2.20623274E+04-7.55220873E+01 1.36681067E+00 6.49150520E-02-4.13267863E-05 1.33304172E-08-1.73828245E-12-1.53487591E+04 2.46157767E+01 AC5H10CHO 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1383.000 1.98177288E+01 2.46043987E-02-8.36554702E-06 1.29409596E-09-7.49077891E-14 -1.59597587E+04-7.43290192E+01 1.37522507E+00 6.50985286E-02-4.18036011E-05 1.36996241E-08-1.82985029E-12-9.26631430E+03 2.56887672E+01 BC5H10CHO 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1367.000 1.82908067E+01 2.59026407E-02-8.81352457E-06 1.36402372E-09-7.89790437E-14 -1.78663480E+04-6.54504237E+01 4.69657063E+00 4.76049368E-02-1.66055685E-05 -1.05558524E-09 1.25802118E-12-1.20896615E+04 1.12115516E+01 CC5H10CHO 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1370.000 1.97791361E+01 2.41036798E-02-8.09050791E-06 1.24169106E-09-7.15088157E-14 -1.73655341E+04-7.36829477E+01 2.07020470E+00 5.88423981E-02-3.07237418E-05 6.09963192E-09-4.14588610E-14-1.06128410E+04 2.36788016E+01 DC5H10CHO 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1390.000 1.99907235E+01 2.49761165E-02-8.60141036E-06 1.34157728E-09-7.80872686E-14 -2.07800110E+04-7.85917123E+01 1.86373573E-01 6.96553238E-02-4.70667833E-05 1.64607489E-08-2.37789418E-12-1.37031871E+04 2.84004351E+01 C4H7CHO1-4 5/ 6/96 THERMC 5H 8O 1 0G 300.000 5000.000 1379.000 1.59299730E+01 1.84432887E-02-6.21997362E-06 9.57537306E-10-5.52580126E-14 -1.98311071E+04-5.51771737E+01 1.30688261E+00 5.07911858E-02-3.31509980E-05 1.10391295E-08-1.49578391E-12-1.45595753E+04 2.40234219E+01 C4H7CO1-4 5/ 6/96 THERMC 5H 7O 1 0G 300.000 5000.000 1378.000 1.54637001E+01 1.64158685E-02-5.54672481E-06 8.55055295E-10-4.93928750E-14 -8.55858619E+02-5.10065564E+01 2.09347005E+00 4.59484008E-02-3.00651488E-05 9.99306335E-09-1.34709811E-12 3.96659370E+03 2.14210959E+01 C4H6CHO1-43 5/ 6/96 THRMC 5H 7O 1 0G 300.000 5000.000 1382.000 1.54178855E+01 1.71672536E-02-5.95214751E-06 9.32713368E-10-5.44705237E-14 -2.75958461E+03-5.37764772E+01 1.13728412E+00 4.85677415E-02-3.21395914E-05 1.08714802E-08-1.51624448E-12 2.44080824E+03 2.36917499E+01 C4H6CHO1-44 5/ 6/96 THRMC 5H 7O 1 0G 300.000 5000.000 1390.000 1.54721595E+01 1.70164879E-02-5.87513255E-06 9.17941359E-10-5.34945363E-14 4.99122207E+02-5.31445505E+01 7.50037894E-01 5.14805714E-02-3.71071056E-05 1.40009579E-08-2.19006703E-12 5.63542979E+03 2.59488465E+01 C4H7CHO2-1 2/29/96 THERMC 5H 8O 1 0G 300.000 5000.000 1387.000 1.50265898E+01 1.98533832E-02-6.83413130E-06 1.06561288E-09-6.20117822E-14 -2.05562762E+04-5.08643339E+01 4.19720449E-01 5.14338117E-02-3.24110908E-05 1.03305738E-08-1.33536312E-12-1.51894369E+04 2.85525761E+01 C4H7CO2-1 2/29/96 THERMC 5H 7O 1 0G 300.000 5000.000 1387.000 1.46069636E+01 1.77278548E-02-6.11539466E-06 9.54916411E-10-5.56262722E-14 -1.59318351E+03-4.69402980E+01 1.19183326E+00 4.66489693E-02-2.93898842E-05 9.28937321E-09-1.18024785E-12 3.33903076E+03 2.60182626E+01 C4H6CHO2-11 2/29/96 THRMC 5H 7O 1 0G 300.000 5000.000 1382.000 1.50770441E+01 1.76352320E-02-6.15283553E-06 9.68110806E-10-5.66958265E-14 -3.69027437E+03-5.25862180E+01 2.35102910E-01 4.90480953E-02-3.06247988E-05 9.27600376E-09-1.08743878E-12 1.81741691E+03 2.83277222E+01 NC5H11CHO-2 2/22/96 THRMC 6H 12O 1 0G 300.000 5000.000 1391.000 2.00982291E+01 2.72817790E-02-9.36387879E-06 1.45721424E-09-8.46851264E-14 -4.08938806E+04-7.82796618E+01-6.63995024E-01 7.30955033E-02-4.73492243E-05 1.55631650E-08-2.07002560E-12-3.33920899E+04 3.42175340E+01 NC5H11CO-2 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1391.000 1.96784077E+01 2.51568048E-02-8.64540248E-06 1.34656434E-09-7.83025296E-14 -2.19307480E+04-7.43546147E+01 1.16758124E-01 6.82693494E-02-4.42620972E-05 1.44793001E-08-1.90521993E-12-1.48648649E+04 3.16437363E+01 C5H10CHO1-2 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1391.000 1.96030867E+01 2.52891123E-02-8.70536133E-06 1.35735154E-09-7.89864303E-14 -1.58087615E+04-7.27643455E+01 2.50648271E-01 6.79173299E-02-4.40160471E-05 1.44761571E-08-1.93001964E-12-8.80171162E+03 3.21325034E+01 C5H10CHO2-2 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1387.000 1.98422317E+01 2.51479748E-02-8.67006162E-06 1.35320867E-09-7.87996524E-14 -2.14683129E+04-7.64444775E+01 1.73182466E+00 6.43663644E-02-4.07006946E-05 1.31756525E-08-1.75720281E-12-1.47992628E+04 2.20340879E+01 C5H10CHO3-2 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1371.000 2.01227062E+01 2.38797102E-02-8.02929509E-06 1.23389172E-09-7.11284276E-14 -1.74161761E+04-7.52295650E+01 4.16999842E-01 6.37354262E-02-3.53661717E-05 7.90793428E-09-2.83991537E-13-1.00633239E+04 3.26151874E+01 C5H10CHO4-2 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1371.000 2.01227062E+01 2.38797102E-02-8.02929509E-06 1.23389172E-09-7.11284276E-14 -1.74161761E+04-7.52295650E+01 4.16999842E-01 6.37354262E-02-3.53661717E-05 7.90793428E-09-2.83991537E-13-1.00633239E+04 3.26151874E+01 C5H10CHO5-2 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1391.000 1.96030867E+01 2.52891123E-02-8.70536133E-06 1.35735154E-09-7.89864303E-14 -1.58087615E+04-7.27643455E+01 2.50648271E-01 6.79173299E-02-4.40160471E-05 1.44761571E-08-1.93001964E-12-8.80171162E+03 3.21325034E+01 IC4H9COCH3 2/22/96 THERMC 6H 12O 1 0G 300.000 5000.000 1385.000 1.96716027E+01 2.76137871E-02-9.47281007E-06 1.47372073E-09-8.56287665E-14 -4.46968524E+04-7.70860283E+01 2.15842829E-01 6.95990530E-02-4.36127297E-05 1.40149197E-08-1.85871558E-12-3.75149674E+04 2.87655890E+01 IC4H9COCH2 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1388.000 2.00550742E+01 2.50289534E-02-8.64295538E-06 1.35045324E-09-7.86996381E-14 -2.32692903E+04-7.96295398E+01-8.85109555E-03 7.18485099E-02-5.13644229E-05 1.95806869E-08-3.14088023E-12-1.62014899E+04 2.83041302E+01 IC3H6CH2COCH3 2/22/96 TMC 6H 11O 1 0G 300.000 5000.000 1384.000 1.92350685E+01 2.54691830E-02-8.74019579E-06 1.36010558E-09-7.90430908E-14 -1.96199680E+04-7.18660640E+01 9.98048049E-01 6.49643385E-02-4.10265248E-05 1.33100492E-08-1.78538338E-12-1.29033820E+04 2.73030609E+01 IC3H7CHCOCH3 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1388.000 1.96562823E+01 2.54184878E-02-8.78893878E-06 1.37447968E-09-8.01497293E-14 -2.45270816E+04-7.74993869E+01-2.51604981E-01 6.97141127E-02-4.63557738E-05 1.59308350E-08-2.26917501E-12-1.73298735E+04 3.03076641E+01 TC3H6CH2COCH3 2/22/96 TMC 6H 11O 1 0G 300.000 5000.000 1371.000 1.77113032E+01 2.67601997E-02-9.18468022E-06 1.42938449E-09-8.30724009E-14

SUPPLEMENTAL MATERIAL-2.15275561E+04-6.30096890E+01 4.31403212E+00 4.74850997E-02-1.58404162E-05 -1.44367305E-09 1.30323000E-12-1.57256666E+04 1.28475963E+01 NC3H7COCH3 2/22/96 THERMC 5H 10O 1 0G 300.000 5000.000 1383.000 1.61841564E+01 2.35245881E-02-8.09675055E-06 1.26230690E-09-7.34487839E-14 -3.93375474E+04-5.82980615E+01 1.24037361E+00 5.42494047E-02-3.14825332E-05 9.14492321E-09-1.07665566E-12-3.36276472E+04 2.36150068E+01 NC3H7COCH2 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1389.000 1.61502419E+01 2.14093466E-02-7.36059614E-06 1.14656816E-09-6.66712722E-14 -1.76968561E+04-5.83864884E+01 9.58299271E-01 5.68162532E-02-3.99112781E-05 1.52671514E-08-2.49221047E-12-1.23062238E+04 2.34112884E+01 C3H6COCH3-1 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 1381.000 1.58052948E+01 2.12787457E-02-7.31842496E-06 1.14049355E-09-6.63446381E-14 -1.42827587E+04-5.34016678E+01 2.00033269E+00 4.96074565E-02-2.87470600E-05 8.26666830E-09-9.51074212E-13-9.01010845E+03 2.22761791E+01 C3H6COCH3-2 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 2017.000 1.36994763E+01 2.33997602E-02-8.20838083E-06 1.30268499E-09-7.69151198E-14 -1.44773517E+04-4.04820065E+01 2.20585184E+00 4.59605697E-02-2.23175553E-05 4.03645332E-09-1.91585252E-14-1.02918446E+04 2.24556304E+01 C3H6COCH3-3 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 1389.000 1.57976789E+01 2.17091054E-02-7.46487769E-06 1.16300253E-09-6.76366022E-14 -1.89670489E+04-5.65047695E+01 6.36829393E-01 5.50047719E-02-3.53220538E-05 1.18237807E-08-1.65550023E-12-1.34221768E+04 2.57839238E+01 AC3H5CHO 2/29/96 THERMC 4H 6O 1 0G 300.000 5000.000 1390.000 1.22811161E+01 1.50167397E-02-5.17605303E-06 8.07796972E-10-4.70379360E-14 -1.50985283E+04-3.72055710E+01 1.59653121E-01 4.25761347E-02-2.91900593E-05 1.04044255E-08-1.53682904E-12-1.07859656E+04 2.82087323E+01 AC3H5CO 2/29/96 THERMC 4H 5O 1 0G 300.000 5000.000 1389.000 1.18646590E+01 1.28852832E-02-4.45460888E-06 6.96613045E-10-4.06215490E-14 3.86344452E+03-3.32989999E+01 9.34300027E-01 3.77751824E-02-2.61384581E-05 9.34041036E-09-1.37598294E-12 7.74223639E+03 2.56636231E+01 C2H3CHCHO 2/29/96 THERMC 4H 5O 1 0G 300.000 5000.000 1382.000 1.24074059E+01 1.27319711E-02-4.47199396E-06 7.06819922E-10-4.15245536E-14 1.71706585E+03-3.94039464E+01-8.77992983E-03 3.98630509E-02-2.66130850E-05 8.74644509E-09-1.14128759E-12 6.22475038E+03 2.79591664E+01 C5H10-1 4/ 7/97 THERMC 5H 10 0 0G 300.000 5000.000 1392.000 1.45851539E+01 2.24072471E-02-7.63348025E-06 1.18188966E-09-6.84385139E-14 -1.00898205E+04-5.23683936E+01-1.06223481E+00 5.74218294E-02-3.74486890E-05 1.27364989E-08-1.79609789E-12-4.46546666E+03 3.22739790E+01 C5H10-2 4/ 7/97 THERMC 5H 10 0 0G 300.000 5000.000 1389.000 1.41109267E+01 2.28348272E-02-7.78626835E-06 1.20627491E-09-6.98795983E-14 -1.14336507E+04-5.01601163E+01-5.41560551E-01 5.39629918E-02-3.23508738E-05 9.77416037E-09-1.18534668E-12-5.98606169E+03 2.97142748E+01 C5H91-2 4/ 2/97 THERMC 5H 9 0 0G 300.000 5000.000 1390.000 1.39474859E+01 2.04521287E-02-6.96967387E-06 1.07931978E-09-6.25066129E-14 1.90755987E+04-4.67176900E+01 7.12538388E-01 4.89480531E-02-2.99536208E-05 9.37086243E-09-1.19699264E-12 2.39583024E+04 2.52948336E+01 C5H91-3 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1392.000 1.41860454E+01 2.07128899E-02-7.06960617E-06 1.09607133E-09-6.35322208E-14 7.00496135E+03-5.14501773E+01-1.38013950E+00 5.57608487E-02-3.70143928E-05 1.26883901E-08-1.78538835E-12 1.25589824E+04 3.26441304E+01 C5H91-4 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1379.000 1.39904314E+01 1.99962562E-02-6.73105937E-06 1.03447598E-09-5.96148983E-14 1.36075123E+04-4.58753046E+01 2.07302224E-01 4.75322572E-02-2.55232300E-05 5.70570808E-09-2.53926602E-13 1.88300100E+04 2.97527890E+01 C5H91-5 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1392.000 1.41604486E+01 2.02710046E-02-6.90765357E-06 1.06972742E-09-6.19529514E-14 1.49795090E+04-4.72301324E+01-3.00352280E-01 5.29029897E-02-3.50199571E-05 1.21280172E-08-1.74459793E-12 2.01482388E+04 3.08938514E+01 C5H92-4 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1389.000 1.37128284E+01 2.11391857E-02-7.22186145E-06 1.12036442E-09-6.49675872E-14 5.66079366E+03-4.92475603E+01-8.61323386E-01 5.23106875E-02-3.19282664E-05 9.73236622E-09-1.17585595E-12 1.10386471E+04 3.00928924E+01 C5H92-5 4/ 7/97 THERMC 5H 9 0 0G 300.000 5000.000 1389.000 1.36885460E+01 2.06966684E-02-7.05980383E-06 1.09401634E-09-6.33885833E-14 1.36345574E+04-4.50306538E+01 2.16350550E-01 4.94614176E-02-2.99438792E-05 9.17728978E-09-1.13613754E-12 1.86282306E+04 2.83575279E+01 C5H9O1-3 4/ 7/97 THERMC 5H 9O 1 0G 300.000 5000.000 1393.000 1.86270165E+01 1.85189638E-02-6.21111137E-06 9.52916260E-10-5.48704082E-14 -4.97349374E+03-7.09678919E+01-2.22532588E+00 6.97271843E-02-5.42285799E-05 2.13591167E-08-3.36511599E-12 1.91826163E+03 3.99711270E+01 C5H9O2-4 4/ 7/97 THERMC 5H 9O 1 0G 300.000 5000.000 1387.000 1.86104516E+01 1.87100216E-02-6.31627652E-06 9.73434030E-10-5.62316246E-14 -6.59575918E+03-7.05163465E+01-1.66449167E+00 6.51525448E-02-4.57159226E-05 1.55903830E-08-2.04144207E-12 4.10326271E+02 3.84890543E+01 C5H11-2 8/ 4/ 4 THERMC 5H 11 0 0G 300.000 5000.000 1391.000 1.48744992E+01 2.40593799E-02-8.15587903E-06 1.25867109E-09-7.27223868E-14 -2.14733945E+03-5.17907576E+01 7.25187788E-01 4.97343569E-02-2.18806076E-05 2.09007834E-09 6.62752863E-13 3.46418370E+03 2.67485348E+01 NC4H9CHO 2/29/96 THERMC 5H 10O 1 0G 300.000 5000.000 1381.000 1.67965163E+01 2.25684519E-02-7.67631588E-06 1.18769369E-09-6.87545554E-14 -3.56826080E+04-6.09063312E+01 1.59663472E+00 5.43541416E-02-3.21020651E-05 9.35773559E-09-1.06688932E-12-2.99841025E+04 2.21281498E+01 NC4H9CO 2/29/96 THERMC 5H 9O 1 0G 300.000 5000.000 1382.000 1.61782939E+01 2.07991920E-02-7.11787892E-06 1.10559975E-09-6.41697187E-14 -1.66537752E+04-5.58943579E+01 2.43530238E+00 4.93682376E-02-2.89883082E-05 8.42863812E-09-9.68287172E-13-1.14675541E+04 1.92695879E+01 C4H8CHO-1 2/29/96 THERMC 5H 9O 1 0G 300.000 5000.000 1382.000 1.62387385E+01 2.06785503E-02-7.06216576E-06 1.09553003E-09-6.35307382E-14 -1.05717872E+04-5.50446953E+01 2.41842832E+00 4.96272127E-02-2.94995966E-05 8.76068653E-09-1.04084476E-12-5.38055616E+03 2.04609422E+01 C4H8CHO-2 2/29/96 THERMC 5H 9O 1 0G 300.000 5000.000 2014.000 1.41407667E+01 2.28357886E-02-7.96904210E-06 1.26040379E-09-7.42466834E-14 -1.07960087E+04-4.22099585E+01 2.67005026E+00 4.58193092E-02-2.29410393E-05 4.53761436E-09-1.26593772E-13-6.67002712E+03 2.04249941E+01 C4H8CHO-3 2/29/96 THERMC 5H 9O 1 0G 300.000 5000.000 2014.000 1.41407667E+01 2.28357886E-02-7.96904210E-06 1.26040379E-09-7.42466834E-14 -1.07960087E+04-4.22099585E+01 2.67005026E+00 4.58193092E-02-2.29410393E-05 4.53761436E-09-1.26593772E-13-6.67002712E+03 2.04249941E+01 C4H8CHO-4 2/29/96 THERMC 5H 9O 1 0G 300.000 5000.000 1388.000 1.65969615E+01 2.07196999E-02-7.14969212E-06 1.11659188E-09-6.50492039E-14 -1.54539499E+04-6.03180192E+01 1.16494271E+00 5.43945461E-02-3.49000792E-05 1.14582711E-08-1.54697375E-12-9.80619729E+03 2.34897110E+01 IC3H7COC2H5 2/22/96 THRMC 6H 12O 1 0G 300.000 5000.000 1388.000 1.95742624E+01 2.79153955E-02-9.62240824E-06 1.50159041E-09-8.74272923E-14 -4.46495838E+04-7.64499712E+01-6.16680077E-01 7.32642523E-02-4.89979081E-05 1.73849382E-08-2.61137271E-12-3.73481224E+04 3.28134678E+01 IC3H6COC2H5 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1388.000 1.91427169E+01 2.57997569E-02-8.90698843E-06 1.39139804E-09-8.10704551E-14 -1.95812003E+04-7.12754331E+01 1.85792567E-01 6.85681889E-02-4.63201856E-05 1.66403586E-08-2.53394238E-12-1.27405850E+04 3.12500304E+01 TC3H6COC2H5 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1385.000 1.94096429E+01 2.56460908E-02-8.86990249E-06 1.38724701E-09-8.08943523E-14 -2.52544006E+04-7.58177941E+01 1.53943727E+00 6.56302319E-02-4.39137825E-05 1.59015819E-08-2.48520903E-12-1.87203799E+04 2.10366385E+01 IC3H7COC2H4P 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1388.000 1.91427169E+01 2.57997569E-02-8.90698843E-06 1.39139804E-09-8.10704551E-14 -1.95812003E+04-7.12754331E+01 1.85792567E-01 6.85681889E-02-4.63201856E-05 1.66403586E-08-2.53394238E-12-1.27405850E+04 3.12500304E+01 IC3H7COC2H4S 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1391.000 1.98203739E+01 2.53580298E-02-8.78518135E-06 1.37564474E-09-8.02875152E-14 -2.45797543E+04-7.83471052E+01-1.70558101E+00 7.60903708E-02-5.54669217E-05 2.13940243E-08-3.44499097E-12-1.70692585E+04 3.72359808E+01 IC3H5COC2H5 2/22/96 THRMC 6H 10O 1 0G 300.000 5000.000 1388.000 1.87507788E+01 2.39971118E-02-8.28168460E-06 1.29336620E-09-7.53430880E-14 -3.06311914E+04-7.17081859E+01 9.32448574E-01 6.57899872E-02-4.70608871E-05 1.83043778E-08-3.03065842E-12-2.43309438E+04 2.41443648E+01 AC3H4COC2H5 2/22/96 THRMC 6H 9O 1 0G 300.000 5000.000 1389.000 1.97160567E+01 2.09105684E-02-7.28102584E-06 1.14398254E-09-6.69250385E-14 -1.26601703E+04-7.73334256E+01 2.22257490E-02 6.98924485E-02-5.57441882E-05 2.36923195E-08-4.16823986E-12-6.00720413E+03 2.75671654E+01 IC3H5COC2H4P 2/22/96 TRMC 6H 9O 1 0G 300.000 5000.000 1388.000 1.83242746E+01 2.18703696E-02-7.56100862E-06 1.18221142E-09-6.89246734E-14 -5.56408662E+03-6.65602309E+01 1.73482909E+00 6.10899133E-02-4.43710538E-05 1.75466750E-08-2.94922111E-12 2.76716397E+02 2.25822178E+01 IC3H5COC2H4S 2/22/96 TRMC 6H 9O 1 0G 300.000 5000.000 1391.000 1.89823944E+01 2.13803288E-02-7.40835524E-06 1.16018120E-09-6.77175714E-14 -1.05407468E+04-7.34787496E+01 3.03036638E-01 6.64634913E-02-5.02432600E-05 2.02128668E-08-3.38770724E-12-4.11851053E+03 2.64622328E+01 IC3H7COCH3 2/22/96 THERMC 5H 10O 1 0G 300.000 5000.000 1389.000 1.66064519E+01 2.32019647E-02-7.99419096E-06 1.24726904E-09-7.26144595E-14 -4.05445159E+04-6.23441565E+01-9.31815420E-01 6.11577694E-02-3.86369073E-05 1.22337141E-08-1.55133066E-12-3.41205261E+04 3.29700276E+01 IC3H7COCH2 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1392.000 1.71358006E+01 2.04135931E-02-7.07825623E-06 1.10904867E-09-6.47575444E-14 -1.91759763E+04-6.57203548E+01-1.39438834E+00 6.43760252E-02-4.76105491E-05 1.84219134E-08-2.94771401E-12-1.27695653E+04 3.36240984E+01 IC3H6COCH3 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1388.000 1.61723542E+01 2.12415058E-02-7.36560280E-06 1.15405451E-09-6.73833225E-14 -1.55092968E+04-5.72444093E+01-4.44749274E-01 5.79587426E-02-3.82556215E-05 1.30231961E-08-1.83858852E-12-9.46805936E+03 3.28465446E+01 TC3H6COCH3 2/22/96 THERMC 5H 9O 1 0G 300.000 5000.000 1384.000 1.63530510E+01 2.10676490E-02-7.30082755E-06 1.14341930E-09-6.67420849E-14 -2.11207671E+04-6.12189536E+01 1.49496642E+00 5.23112685E-02-3.18357357E-05 9.76462981E-09-1.22303232E-12-1.55329086E+04 1.99445543E+01 C2H5COC2H5 2/22/96 THERMC 5H 10O 1 0G 300.000 5000.000 1376.000 1.67131896E+01 2.24769805E-02-7.61830162E-06 1.17658492E-09-6.80456888E-14 -3.96020446E+04-6.15362004E+01 1.59094611E+00 5.45541559E-02-3.33407641E-05 1.05931387E-08-1.42002914E-12-3.39282740E+04 2.09983080E+01 C2H5COC2H4P 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 1376.000 1.62000827E+01 2.05106647E-02-6.96977982E-06 1.07826230E-09-6.24324406E-14 -1.45067221E+04-5.52272610E+01 2.39449461E+00 4.98731839E-02-3.07394387E-05 9.95080260E-09-1.37570832E-12-9.32123954E+03 2.01162807E+01 C2H5COC2H4S 2/22/96 THRMC 5H 9O 1 0G 300.000 5000.000 1385.000 1.61904470E+01 2.12169293E-02-7.35412919E-06 1.15187377E-09-6.72380864E-14 -1.92650763E+04-5.84937265E+01 1.10728106E+00 5.48902970E-02-3.67695939E-05 1.32867426E-08-2.06966690E-12-1.37435363E+04 2.32804315E+01 C2H5COC2H3 2/22/96 THERMC 5H 8O 1 0G 300.000 5000.000 1387.000 1.55916947E+01 1.96028302E-02-6.79737285E-06 1.06496015E-09-6.21767189E-14 -2.55988351E+04-5.53302818E+01 4.89126432E-01 5.49951823E-02-3.96989101E-05 1.55700373E-08-2.60070818E-12-2.02458499E+04 2.59411142E+01 PC2H4COC2H3 2/22/96 THRMC 5H 7O 1 0G 300.000 5000.000 1404.000 1.26732841E+01 2.02366192E-02-6.61089203E-06 9.93878746E-10-5.63457733E-14 7.74011225E+02-3.54543594E+01 7.62539679E-01 5.35805655E-02-4.36465022E-05 1.99232699E-08-3.73335386E-12 4.42260800E+03 2.66604751E+01 SC2H4COC2H3 2/22/96 THRMC 5H 7O 1 0G 300.000 5000.000 1389.000 1.58074213E+01 1.69721022E-02-5.91317608E-06 9.29449082E-10-5.43903161E-14 -5.49230389E+03-5.69867205E+01-1.60114035E-01 5.57954071E-02-4.31353298E-05 1.76457444E-08-2.99384261E-12-3.12060218E+01 2.83440609E+01 IC5H8 8/ 9/ 7 THERMC 5H 8 0 0G 300.000 5000.000 1397.000 1.44434478E+01 1.79881464E-02-6.13571042E-06 9.50663040E-10-5.50722345E-14 2.24578329E+03-5.33800482E+01-1.11131238E+00 5.91227821E-02-4.93559208E-05 2.20613521E-08-4.02420818E-12 7.23728071E+03 2.85722066E+01 IC5H7 8/ 9/ 7 THERMC 5H 7 0 0G 300.000 5000.000 1400.000 1.48523478E+01 1.55764392E-02-5.31690304E-06 8.24223820E-10-4.77657150E-14 2.04956443E+04-5.57447845E+01-2.02197006E+00 6.36290064E-02-5.92705516E-05 2.85610470E-08-5.45166203E-12 2.55520226E+04 3.19175495E+01 IC5H7O 8/ 9/ 7 THERMC 5H 7O 1 0G 300.000 5000.000 1400.000 1.62444018E+01 1.64622833E-02-5.61159358E-06 8.69195043E-10-5.03459699E-14 1.04712677E+04-5.86535026E+01 1.85980968E-02 5.95559487E-02-5.06312537E-05 2.25692249E-08-4.06207685E-12 1.56080849E+04 2.66826190E+01 C4H5 H6W/94C 4H 5 0 0G 300.000 3000.000 0.10229092E+02 0.94850138E-02-0.90406445E-07-0.12596100E-08 0.24781468E-12 0.34642812E+05-0.28564529E+02-0.19932900E-01 0.38005672E-01-0.27559450E-04 0.77835551E-08 0.40209383E-12 0.37496223E+05 0.24394241E+02 IC4H7-I1 4/ 2/97 THERMC 4H 7 0 0G 300.000 5000.000 1389.000 1.10957600E+01 1.57810049E-02-5.38419615E-06 8.34360121E-10-4.83401481E-14 2.24175827E+04-3.40426822E+01 1.87632434E+00 3.54486107E-02-2.13104949E-05 6.73400492E-09-9.03166339E-13 2.58712914E+04 1.62429161E+01 C5H81-3 3/27/97 THERMC 5H 8 0 0G 300.000 5000.000 1396.000 1.45574490E+01 1.80939266E-02-6.21671892E-06 9.67920254E-10-5.62629326E-14 1.22365462E+03-5.43889766E+01-2.32617433E+00 6.38696042E-02-5.57052591E-05 2.58049480E-08-4.83405924E-12 6.55183321E+03 3.42036513E+01 C7H16-24 7/19/ 0 THERMC 7H 16 0 0G 300.000 5000.000 1391.000 2.22587834E+01 3.52460342E-02-1.21165333E-05 1.88731524E-09-1.09741951E-13 -3.66865565E+04-9.49273295E+01-2.25657881E+00 8.93437536E-02-5.76290654E-05 1.93991731E-08-2.72881106E-12-2.77531748E+04 3.80308727E+01 XC7H15 7/19/ 0 THERMC 7H 15 0 0G 300.000 5000.000 1391.000 2.18442431E+01 3.30970511E-02-1.13855507E-05 1.77428049E-09-1.03203205E-13 -1.16221052E+04-8.98480981E+01-1.48792779E+00 8.47935030E-02-5.51477546E-05 1.87561345E-08-2.66966132E-12-3.14049112E+03 3.66194993E+01 YC7H15 7/19/ 0 THERMC 7H 15 0 0G 300.000 5000.000 1384.000 2.04581471E+01 3.43076361E-02-1.18102635E-05 1.84129611E-09-1.07133806E-13 -1.34978774E+04-8.18212264E+01 1.30897106E+00 6.96136442E-02-3.31150057E-05

SUPPLEMENTAL MATERIAL 5.82888256E-09 3.54427314E-14-5.78512513E+03 2.45658235E+01 ZC7H15 7/19/ 0 THERMC 7H 15 0 0G 300.000 5000.000 1388.000 2.14125023E+01 3.31721888E-02-1.13499859E-05 1.76256438E-09-1.02279053E-13 -1.28665096E+04-8.69738045E+01-1.20411785E+00 8.05601821E-02-4.75710195E-05 1.36213268E-08-1.47301903E-12-4.42797757E+03 3.64892374E+01 XC7H14 7/19/ 0 THERMC 7H 14 0 0G 300.000 5000.000 1392.000 2.10164030E+01 3.15214597E-02-1.08073947E-05 1.68040191E-09-9.75892313E-14 -2.12117050E+04-8.63818785E+01-1.33081497E+00 8.21082352E-02-5.49123303E-05 1.94284948E-08-2.88886542E-12-1.32021384E+04 3.43549746E+01 YC7H14 7/19/ 0 THERMC 7H 14 0 0G 300.000 5000.000 1392.000 2.05074323E+01 3.19644167E-02-1.09618778E-05 1.70463736E-09-9.90036120E-14 -2.23945609E+04-8.39266561E+01-8.42232649E-01 7.89798297E-02-5.04574475E-05 1.68934048E-08-2.37201987E-12-1.45971538E+04 3.19096189E+01 XC7H13-X1 6/25/99 THERMC 7H 13 0 0G 300.000 5000.000 1395.000 2.14417898E+01 2.90951798E-02-9.98351421E-06 1.55317233E-09-9.02369517E-14 -2.99153492E+03-8.88433445E+01-2.29007165E+00 8.67901762E-02-6.50308381E-05 2.60293741E-08-4.33490360E-12 5.10076243E+03 3.79380624E+01 XC7H13-Z 6/25/99 THERMC 7H 13 0 0G 300.000 5000.000 1392.000 2.06194069E+01 2.98279790E-02-1.02443684E-05 1.59476927E-09-9.26958038E-14 -4.13779765E+03-8.54759101E+01-1.64635315E+00 8.04509949E-02-5.44891453E-05 1.93900770E-08-2.88082382E-12 3.80138821E+03 3.47109409E+01 XC7H13-X2 6/25/99 THERMC 7H 13 0 0G 300.000 5000.000 1392.000 2.06333635E+01 2.93596738E-02-1.00751188E-05 1.56749343E-09-9.10712060E-14 3.81709053E+03-8.14872912E+01-6.81487817E-01 7.81587844E-02-5.33415630E-05 1.93596117E-08-2.95878717E-12 1.14062580E+04 3.34850181E+01 XC7H13-Y2 6/25/99 THERMC 7H 13 0 0G 300.000 5000.000 1384.000 1.90334388E+01 3.07312993E-02-1.05503266E-05 1.64182432E-09-9.54035635E-14 2.04280444E+03-7.21904286E+01 2.75611600E+00 6.00861401E-02-2.73082667E-05 4.10488099E-09 2.37051604E-13 8.66819644E+03 1.84800966E+01 YC7H13-Y2 6/25/99 THERMC 7H 13 0 0G 300.000 5000.000 1389.000 1.96153468E+01 3.07074105E-02-1.05530468E-05 1.64345959E-09-9.55499728E-14 -6.29650914E+03-8.09254914E+01-3.06783292E-01 7.20691145E-02-4.20233916E-05 1.20050088E-08-1.32605214E-12 1.21727364E+03 2.80339431E+01 YC7H13-X2 6/25/99 THERMC 7H 13 0 0G 300.000 5000.000 1392.000 2.00933242E+01 2.98145345E-02-1.02304735E-05 1.59152568E-09-9.24599545E-14 2.64933003E+03-7.88503811E+01-7.91768575E-02 7.44508349E-02-4.80063873E-05 1.62687796E-08-2.31692063E-12 9.99635526E+03 3.05249774E+01 XC7H13O-Z 5/14/ 3 THERMC 7H 13O 1 0G 300.000 5000.000 1393.000 2.44947643E+01 2.76331607E-02-9.27884306E-06 1.42378456E-09-8.19634936E-14 -1.56065414E+04-1.01342872E+02-2.29755615E+00 9.42066780E-02-7.32881979E-05 2.96623011E-08-4.88038965E-12-6.75095244E+03 4.10526275E+01 YC7H13O-Y2 5/14/ 3 THERMC 7H 13O 1 0G 300.000 5000.000 1391.000 2.44895570E+01 2.72499278E-02-9.06880008E-06 1.38347877E-09-7.93299137E-14 -1.87690928E+04-1.02028362E+02-7.27101657E-01 8.87136384E-02-6.66483821E-05 2.60146126E-08-4.12941257E-12-1.03333355E+04 3.23860863E+01 XC7H15O2 7/19/ 0 THERMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.56414129E+01 3.47282720E-02-1.19896068E-05 1.87291322E-09-1.09123152E-13 -3.07410559E+04-1.04954825E+02-3.84752007E-02 9.34559105E-02-6.43540160E-05 2.37092902E-08-3.70460189E-12-2.15504468E+04 3.36546874E+01 YC7H15O2 7/19/ 0 THERMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.63777368E+01 3.40995934E-02-1.17718548E-05 1.83881800E-09-1.07133205E-13 -3.39133584E+04-1.11594572E+02-1.76194227E-01 9.72567634E-02-7.10835784E-05 2.80486966E-08-4.66877903E-12-2.46466146E+04 3.08813371E+01 ZC7H15O2 7/19/ 0 THERMC 7H 15O 2 0G 300.000 5000.000 1392.000 2.63546014E+01 3.40976129E-02-1.17666253E-05 1.83754787E-09-1.07041520E-13 -3.32966218E+04-1.10629431E+02-1.09410159E+00 9.99287589E-02-7.39793556E-05 2.94068415E-08-4.90156423E-12-2.37993417E+04 3.64080629E+01 XC7H15O2H 7/19/ 0 THERMC 7H 16O 2 0G 300.000 5000.000 1390.000 2.81216777E+01 3.48595780E-02-1.20626646E-05 1.88740293E-09-1.10097870E-13 -4.86610859E+04-1.19350859E+02-1.07998201E+00 1.02632930E-01-7.30114235E-05 2.72817863E-08-4.24730414E-12-3.83873878E+04 3.77857109E+01 YC7H15O2H 7/19/ 0 THERMC 7H 16O 2 0G 300.000 5000.000 1391.000 2.88447004E+01 3.42584124E-02-1.18579214E-05 1.85569904E-09-1.08261580E-13 -5.18320516E+04-1.25923739E+02-1.20161039E+00 1.06345258E-01-7.96123831E-05 3.15543609E-08-5.19979696E-12-4.14854280E+04 3.49419277E+01 ZC7H15O2H 7/19/ 0 THERMC 7H 16O 2 0G 300.000 5000.000 1392.000 2.88229476E+01 3.43227287E-02-1.18901707E-05 1.86177460E-09-1.08657283E-13 -5.12136411E+04-1.24971491E+02-2.58640712E+00 1.11560622E-01-8.67188425E-05 3.57207770E-08-6.08505338E-12-4.05800374E+04 4.25341257E+01 XC7H15O 7/19/ 0 THERMC 7H 15O 1 0G 300.000 5000.000 1394.000 2.41616909E+01 3.32639410E-02-1.13554345E-05 1.76073607E-09-1.02065780E-13 -2.89036843E+04-9.99171927E+01-2.12392457E+00 9.42337139E-02-6.56213910E-05 2.38766720E-08-3.58807400E-12-1.97093497E+04 4.14440060E+01 YC7H15O 7/19/ 0 THERMC 7H 15O 1 0G 300.000 5000.000 1395.000 2.47809281E+01 3.28455378E-02-1.12333696E-05 1.74388123E-09-1.01169596E-13 -3.24443314E+04-1.05462269E+02-2.14864865E+00 9.76137225E-02-7.19206795E-05 2.80967216E-08-4.55397977E-12-2.32266835E+04 3.85922413E+01 ZC7H15O 7/19/ 0 THERMC 7H 15O 1 0G 300.000 5000.000 1394.000 2.45898334E+01 3.33410501E-02-1.14764761E-05 1.78922434E-09-1.04105238E-13 -3.12830956E+04-1.04155336E+02-2.84044982E+00 9.93875924E-02-7.37966239E-05 2.91964205E-08-4.81215712E-12-2.18617942E+04 4.26176405E+01 XC7H14OOH-X1 7/19/ 0 TRMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.76866934E+01 3.27519448E-02-1.13511515E-05 1.77794106E-09-1.03788494E-13 -2.35926173E+04-1.14159415E+02-2.51727235E-01 9.78145920E-02-7.01472152E-05 2.64234133E-08-4.14539753E-12-1.37835369E+04 3.61045018E+01 XC7H14OOH-Y1 7/19/ 0 TRMC 7H 15O 2 0G 300.000 5000.000 1384.000 2.61414592E+01 3.40778275E-02-1.18110807E-05 1.84996634E-09-1.07990658E-13 -2.53953124E+04-1.04497256E+02 2.95681082E+00 8.07846396E-02-4.56461631E-05 1.21120567E-08-1.15794225E-12-1.64878756E+04 2.28485210E+01 XC7H14OOH-Z 7/19/ 0 THRMC 7H 15O 2 0G 300.000 5000.000 1386.000 2.76489022E+01 3.21124316E-02-1.09907912E-05 1.70782491E-09-9.91661874E-14 -2.49553598E+04-1.13432329E+02-2.95763440E-01 9.48248078E-02-6.38882580E-05 2.16789885E-08-2.95322694E-12-1.50176743E+04 3.75215127E+01 XC7H14OOH-Y2 7/19/ 0 TRMC 7H 15O 2 0G 300.000 5000.000 1384.000 2.61414592E+01 3.40778275E-02-1.18110807E-05 1.84996634E-09-1.07990658E-13 -2.53953124E+04-1.04497256E+02 2.95681082E+00 8.07846396E-02-4.56461631E-05 1.21120567E-08-1.15794225E-12-1.64878756E+04 2.28485210E+01 XC7H14OOH-X2 7/19/ 0 TRMC 7H 15O 2 0G 300.000 5000.000 1390.000 2.76866934E+01 3.27519448E-02-1.13511515E-05 1.77794106E-09-1.03788494E-13 -2.35926173E+04-1.14159415E+02-2.51727235E-01 9.78145920E-02-7.01472152E-05 2.64234133E-08-4.14539753E-12-1.37835369E+04 3.61045018E+01 YC7H14OOH-X1 7/19/ 0 TRMC 7H 15O 2 0G 300.000 5000.000 1391.000 2.84263901E+01 3.21157100E-02-1.11297910E-05 1.74318113E-09-1.01755830E-13 -2.67666014E+04-1.20824059E+02-4.18454720E-01 1.01727305E-01-7.70306053E-05 3.08511142E-08-5.12782774E-12-1.68748345E+04 3.34641392E+01 YC7H14OOH-Z 7/19/ 0 THRMC 7H 15O 2 0G 300.000 5000.000 1387.000 2.84317632E+01 3.13846101E-02-1.07271569E-05 1.66546594E-09-9.66539919E-14 -2.81425544E+04-1.20322658E+02-4.53555924E-01 9.86867641E-02-7.06903916E-05 2.60354449E-08-3.91550543E-12-1.81099665E+04 3.48473860E+01 YC7H14OOH-Y2 7/19/ 0 TRMC 7H 15O 2 0G 300.000 5000.000 1385.000 2.68731550E+01 3.34845150E-02-1.16124145E-05 1.81956167E-09-1.06244196E-13 -2.85750405E+04-1.11134463E+02 2.66995736E+00 8.52276202E-02-5.33279784E-05 1.70579835E-08-2.26030253E-12-1.95608398E+04 2.07706674E+01 YC7H14OOH-X2 7/19/ 0 TRMC 7H 15O 2 0G 300.000 5000.000 1391.000 2.84263901E+01 3.21157100E-02-1.11297910E-05 1.74318113E-09-1.01755830E-13 -2.67666014E+04-1.20824059E+02-4.18454720E-01 1.01727305E-01-7.70306053E-05 3.08511142E-08-5.12782774E-12-1.68748345E+04 3.34641392E+01 ZC7H14OOH-X 7/19/ 0 THRMC 7H 15O 2 0G 300.000 5000.000 1392.000 2.85250212E+01 3.20467109E-02-1.11097617E-05 1.74048822E-09-1.01617868E-13 -2.62116897E+04-1.20590636E+02-1.21852743E+00 1.03879517E-01-7.89028432E-05 3.14758860E-08-5.18634373E-12-1.60472671E+04 3.84351061E+01 ZC7H14OOH-Y 7/19/ 0 THRMC 7H 15O 2 0G 300.000 5000.000 1386.000 2.71410520E+01 3.32303001E-02-1.15196486E-05 1.80462020E-09-1.05357677E-13 -2.80696357E+04-1.11832960E+02 2.16826305E+00 8.62685635E-02-5.33544912E-05 1.63970010E-08-2.00930691E-12-1.87867536E+04 2.43016302E+01 XC7H14OOH-X1O2 7/19/ 0 MC 7H 15O 4 0G 300.000 5000.000 1388.000 3.15322755E+01 3.44371244E-02-1.19956214E-05 1.88521208E-09-1.10307538E-13 -4.27760338E+04-1.29648751E+02 9.60077795E-01 1.07424861E-01-8.07155479E-05 3.22915945E-08-5.40466748E-12-3.21544359E+04 3.42589712E+01 XC7H14OOH-X2O2 7/19/ 0 MC 7H 15O 4 0G 300.000 5000.000 1388.000 3.15322755E+01 3.44371244E-02-1.19956214E-05 1.88521208E-09-1.10307538E-13 -4.27760338E+04-1.29648751E+02 9.60077795E-01 1.07424861E-01-8.07155479E-05 3.22915945E-08-5.40466748E-12-3.21544359E+04 3.42589712E+01 XC7H14OOH-Y1O2 7/19/ 0 MC 7H 15O 4 0G 300.000 5000.000 1389.000 3.22575127E+01 3.38160378E-02-1.17800849E-05 1.85142066E-09-1.08333580E-13 -4.59451819E+04-1.36226843E+02 8.82616562E-01 1.10895993E-01-8.69136416E-05 3.62863771E-08-6.29046824E-12-3.52579660E+04 3.12198702E+01 XC7H14OOH-Y2O2 7/19/ 0 MC 7H 15O 4 0G 300.000 5000.000 1389.000 3.22575127E+01 3.38160378E-02-1.17800849E-05 1.85142066E-09-1.08333580E-13 -4.59451819E+04-1.36226843E+02 8.82616562E-01 1.10895993E-01-8.69136416E-05 3.62863771E-08-6.29046824E-12-3.52579660E+04 3.12198702E+01 XC7H14OOH-ZO2 7/19/ 0 TMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.22331834E+01 3.37949275E-02-1.17636766E-05 1.84791914E-09-1.08091994E-13 -4.53115547E+04-1.34526043E+02 2.62221649E-01 1.12421430E-01-8.82148153E-05 3.66846463E-08-6.31390293E-12-3.44607256E+04 3.60200098E+01 YC7H14OOH-X1O2 7/19/ 0 MC 7H 15O 4 0G 300.000 5000.000 1389.000 3.22575127E+01 3.38160378E-02-1.17800849E-05 1.85142066E-09-1.08333580E-13 -4.59451819E+04-1.36226843E+02 8.82616562E-01 1.10895993E-01-8.69136416E-05 3.62863771E-08-6.29046824E-12-3.52579660E+04 3.12198702E+01 YC7H14OOH-X2O2 7/19/ 0 MC 7H 15O 4 0G 300.000 5000.000 1389.000 3.22575127E+01 3.38160378E-02-1.17800849E-05 1.85142066E-09-1.08333580E-13 -4.59451819E+04-1.36226843E+02 8.82616562E-01 1.10895993E-01-8.69136416E-05 3.62863771E-08-6.29046824E-12-3.52579660E+04 3.12198702E+01 YC7H14OOH-Y2O2 7/19/ 0 MC 7H 15O 4 0G 300.000 5000.000 1390.000 3.29900436E+01 3.31872151E-02-1.15615317E-05 1.81712155E-09-1.06328553E-13 -4.91154944E+04-1.42843619E+02 7.69727874E-01 1.14558604E-01-9.34126077E-05 4.04699984E-08-7.21791782E-12-3.83571393E+04 2.83373178E+01 YC7H14OOH-ZO2 7/19/ 0 TMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.29254056E+01 3.31981348E-02-1.15556227E-05 1.81519676E-09-1.06176106E-13 -4.84651957E+04-1.40908316E+02 1.85907885E-01 1.15895777E-01-9.44923584E-05 4.07632596E-08-7.22335853E-12-3.75641932E+04 3.29762499E+01 ZC7H14OOH-XO2 7/19/ 0 TMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.22331834E+01 3.37949275E-02-1.17636766E-05 1.84791914E-09-1.08091994E-13 -4.53115547E+04-1.34526043E+02 2.62221649E-01 1.12421430E-01-8.82148153E-05 3.66846463E-08-6.31390293E-12-3.44607256E+04 3.60200098E+01 ZC7H14OOH-YO2 7/19/ 0 TMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.29254056E+01 3.31981348E-02-1.15556227E-05 1.81519676E-09-1.06176106E-13 -4.84651957E+04-1.40908316E+02 1.85907885E-01 1.15895777E-01-9.44923584E-05 4.07632596E-08-7.22335853E-12-3.75641932E+04 3.29762499E+01 X-X1C7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1396.000 2.26665402E+01 3.28947065E-02-1.12431532E-05 1.74493332E-09-1.01220189E-13 -3.38478263E+04-9.69401657E+01-5.93233379E+00 9.96147343E-02-7.05301783E-05 2.56339002E-08-3.78592163E-12-2.39466812E+04 5.66181792E+01 X-X2C7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1393.000 2.27906942E+01 3.39393031E-02-1.16718767E-05 1.81912714E-09-1.05839343E-13 -4.65745416E+04-1.04541368E+02-8.42909188E+00 1.05647860E-01-7.39367542E-05 2.61424000E-08-3.71654327E-12-3.56658262E+04 6.34695107E+01 X-Y1C7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1397.000 2.39939903E+01 3.14792359E-02-1.07826081E-05 1.67573435E-09-9.72935479E-14 -3.65173057E+04-1.03924708E+02-4.16787595E+00 9.99803184E-02-7.54665578E-05 2.98407957E-08-4.84556052E-12-2.69997568E+04 4.63736105E+01 X-Y2C7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1397.000 2.27255338E+01 3.32678588E-02-1.13715614E-05 1.76494537E-09-1.02384190E-13 -4.74801924E+04-1.00170531E+02-7.91193918E+00 1.07366742E-01-8.04748615E-05 3.12951872E-08-4.96683838E-12-3.71265521E+04 6.34185869E+01 X-ZC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1399.000 2.30507052E+01 3.27569243E-02-1.12344217E-05 1.74738309E-09-1.01510008E-13 -3.61254713E+04-1.00035198E+02-6.17862835E+00 1.02848356E-01-7.59942354E-05 2.91603851E-08-4.57622862E-12-2.61745897E+04 5.62691178E+01 Y-YC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1397.000 2.39674197E+01 3.19629086E-02-1.09575314E-05 1.70388263E-09-9.89667798E-14 -4.09521819E+04-1.07004135E+02-6.12471972E+00 1.06936922E-01-8.38262727E-05 3.44195785E-08-5.77838259E-12-3.09582104E+04 5.29684725E+01 Y-ZC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1399.000 2.45279841E+01 3.11656013E-02-1.07038606E-05 1.66638951E-09-9.68649509E-14 -3.88685243E+04-1.07909911E+02-4.91085052E+00 1.05210433E-01-8.35686401E-05 3.48335772E-08-5.93251290E-12-2.91477688E+04 4.83640609E+01 C7KET24XX1 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1390.000 2.91773205E+01 3.16574729E-02-1.10131609E-05 1.72942809E-09-1.01139477E-13 -5.82061964E+04-1.20841473E+02-3.70842437E-01 1.01207029E-01-7.44929029E-05 2.85454154E-08-4.51955286E-12-4.79358937E+04 3.77687030E+01 C7KET24XY1 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1391.000 3.05986062E+01 3.04830919E-02-1.06169237E-05 1.66863133E-09-9.76462072E-14 -6.12856877E+04-1.31157962E+02 6.41882798E-03 1.01759566E-01-7.41285910E-05 2.74791897E-08-4.13984783E-12-5.06560053E+04 3.31872703E+01 C7KET24XZ 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1392.000 3.00499738E+01 3.09109258E-02-1.07549224E-05 1.68908229E-09-9.87900071E-14 -6.08371300E+04-1.26080160E+02-1.14060367E+00 1.06356265E-01-8.17595796E-05 3.26105395E-08-5.33201882E-12-5.02289831E+04 4.05757595E+01 C7KET24XY2 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1391.000 2.99220507E+01 3.10354540E-02-1.08007132E-05 1.69647016E-09-9.92281409E-14 -6.13838880E+04-1.26847399E+02-6.22798600E-01 1.05547947E-01-8.20361319E-05 3.33950559E-08-5.59748012E-12-5.10157719E+04 3.62065727E+01

SUPPLEMENTAL MATERIALC7KET24XX2 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1390.000 2.91773205E+01 3.16574729E-02-1.10131609E-05 1.72942809E-09-1.01139477E-13 -5.82061964E+04-1.20151991E+02-3.70842437E-01 1.01207029E-01-7.44929029E-05 2.85454154E-08-4.51955286E-12-4.79358937E+04 3.84581846E+01 C7KET24ZX 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1390.000 2.92298738E+01 3.17211520E-02-1.10600349E-05 1.73941402E-09-1.01831297E-13 -6.20924140E+04-1.21861626E+02-2.08943567E+00 1.06507904E-01-8.05300329E-05 3.16495195E-08-5.12149728E-12-5.13207242E+04 4.58648718E+01 C7KET24ZY 7/19/ 0 THERMC 7H 14O 3 0G 300.000 5000.000 1391.000 3.07201914E+01 3.05414582E-02-1.06739606E-05 1.68146856E-09-9.85557204E-14 -6.52233218E+04-1.33320723E+02-1.81246994E+00 1.07397367E-01-8.04619526E-05 3.07120590E-08-4.76647747E-12-5.40235336E+04 4.10770246E+01 XC7H14OH 6/26/99 THERMC 7H 15O 1 0G 300.000 5000.000 1386.000 2.22783263E+01 3.43327362E-02-1.16997135E-05 1.81185921E-09-1.04934239E-13 -3.19677719E+04-8.54790118E+01 1.88943975E+00 7.43381040E-02-3.88094379E-05 8.74062545E-09-4.92170854E-13-2.40700279E+04 2.68171689E+01 YC7H14OH 6/26/99 THERMC 7H 15O 1 0G 300.000 5000.000 1389.000 2.27293371E+01 3.43645876E-02-1.17989857E-05 1.83627381E-09-1.06708101E-13 -3.42895016E+04-9.04748301E+01 1.36660349E+00 7.90423499E-02-4.65478027E-05 1.38397859E-08-1.67038637E-12-2.62284524E+04 2.63092261E+01 XO2C7H14OH 6/26/99 THERMC 7H 15O 3 0G 300.000 5000.000 1397.000 2.73863988E+01 3.45662399E-02-1.17551163E-05 1.81764080E-09-1.05147179E-13 -5.18970846E+04-1.10029790E+02 1.19975843E+00 9.92007500E-02-7.45281247E-05 3.02238575E-08-5.10583956E-12-4.30635722E+04 2.95218725E+01 YO2C7H14OH 6/26/99 THERMC 7H 15O 3 0G 300.000 5000.000 1399.000 2.82113574E+01 3.39628072E-02-1.15682001E-05 1.79065554E-09-1.03663938E-13 -5.43388441E+04-1.15707359E+02 4.75540024E-01 1.04224433E-01-8.16974991E-05 3.43215207E-08-5.94520562E-12-4.51793605E+04 3.14329685E+01 ACC6H10 5/14/ 3 THERMC 6H 10 0 0G 300.000 5000.000 1395.000 1.71179863E+01 2.28897637E-02-7.81690438E-06 1.21213325E-09-7.02598741E-14 -3.26888037E+03-6.66240298E+01-7.62523956E-01 6.76164058E-02-5.21691523E-05 2.17987069E-08-3.79061510E-12 2.72970447E+03 2.84975422E+01 ACC6H9-A 5/14/ 3 THERMC 6H 9 0 0G 300.000 5000.000 1398.000 1.75340261E+01 2.04761944E-02-6.99836000E-06 1.08582750E-09-6.29648075E-14 1.49755134E+04-6.90316659E+01-1.70849840E+00 7.22432674E-02-6.22150506E-05 2.83599259E-08-5.22870348E-12 2.10506573E+04 3.20184824E+01 ACC6H9-D 3/27/97 THERMC 6H 9 0 0G 300.000 5000.000 1398.000 1.75340261E+01 2.04761944E-02-6.99836000E-06 1.08582750E-09-6.29648075E-14 1.49755134E+04-6.90316659E+01-1.70849840E+00 7.22432674E-02-6.22150506E-05 2.83599259E-08-5.22870348E-12 2.10506573E+04 3.20184824E+01 NEOC5H12 8/ 4/ 4 THERMC 5H 12 0 0G 300.000 5000.000 1380.000 1.27806765E+01 3.70070524E-02-1.45062377E-05 2.44060047E-09-1.48999316E-13 -2.88309615E+04-5.30464429E+01 5.02070151E+00 3.12645024E-02 1.44944421E-05 -1.94266921E-08 4.79323580E-12-2.31797674E+04-1.95757948E+00 NEOC5H11 8/ 4/ 4 THERMC 5H 11 0 0G 300.000 5000.000 1449.000 2.03101659E+01 2.14646697E-02-7.72125763E-06 1.23982682E-09-7.36407564E-14 -6.45138607E+03-9.01108572E+01 3.39222761E+00 3.54069089E-02 1.20020080E-05 -2.34112635E-08 6.79995937E-12 1.81088321E+03 9.54432517E+00 NEOC5H11O2H 7/19/ 0 THRMC 5H 12O 2 0G 300.000 5000.000 1393.000 2.30055594E+01 2.48094574E-02-8.60476532E-06 1.34851605E-09-7.87533536E-14 -4.11576544E+04-9.75546111E+01-1.35552468E+00 8.40709229E-02-6.47631200E-05 2.59805766E-08-4.27483246E-12-3.29053072E+04 3.24915628E+01 NEOC5H11O2 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1392.000 2.05483317E+01 2.46304650E-02-8.50918788E-06 1.32989124E-09-7.75131681E-14 -2.32426335E+04-8.32803718E+01-3.91775516E-01 7.52300028E-02-5.65787545E-05 2.26724856E-08-3.78445370E-12-1.60564398E+04 2.87221556E+01 NEOC5H11O 7/19/ 0 THERMC 5H 11O 1 0G 300.000 5000.000 1399.000 1.91195281E+01 2.30837786E-02-7.83941709E-06 1.21152000E-09-7.00727365E-14 -2.14257999E+04-7.85283647E+01-2.41265702E+00 7.56872456E-02-5.73116804E-05 2.24731318E-08-3.58123651E-12-1.42243837E+04 3.62184819E+01 NEOC5H10OOH 7/19/ 0 THRMC 5H 11O 2 0G 300.000 5000.000 1393.000 2.25938496E+01 2.26535559E-02-7.87044393E-06 1.23486461E-09-7.21749471E-14 -1.60940953E+04-9.13887696E+01-6.05220938E-01 7.95912576E-02-6.23765713E-05 2.53893962E-08-4.22581104E-12-8.28955104E+03 3.22696177E+01 NEO-C5H10O 7/19/ 0 THERMC 5H 10O 1 0G 300.000 5000.000 1403.000 1.76460110E+01 2.26810717E-02-7.71282279E-06 1.19323852E-09-6.90742459E-14 -2.67804002E+04-7.31948416E+01-6.21847733E+00 8.10795749E-02-6.22501526E-05 2.42500217E-08-3.78360032E-12-1.88653812E+04 5.38517819E+01 NEOC5H10OOH-O2 7/19/ 0 TC 5H 11O 4 0G 300.000 5000.000 1389.000 2.64382058E+01 2.43196513E-02-8.50395001E-06 1.33997386E-09-7.85500831E-14 -3.52730137E+04-1.07549044E+02 7.25192782E-01 8.86390464E-02-7.20740991E-05 3.06945725E-08-5.35625298E-12-2.66774545E+04 2.91925393E+01 NEOC5H9Q2 7/19/ 0 THERMC 5H 11O 4 0G 300.000 5000.000 1390.000 2.84924817E+01 2.23169431E-02-7.85239093E-06 1.24255070E-09-7.30566568E-14 -2.81259185E+04-1.16798635E+02 5.36224909E-01 9.28531598E-02-7.76106867E-05 3.32225137E-08-5.75083671E-12-1.89132804E+04 3.15372433E+01 NEOC5H9Q2-N 7/19/ 0 THRMC 5H 11O 4 0G 300.000 5000.000 1389.000 2.84283606E+01 2.23619635E-02-7.86547442E-06 1.24430912E-09-7.31466295E-14 -3.05855190E+04-1.16031982E+02 2.05191235E+00 8.76308565E-02-7.11248833E-05 2.97224410E-08-5.05675432E-12-2.17504634E+04 2.44010834E+01 NEOC5KET 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1392.000 2.41117737E+01 2.15583159E-02-7.53756458E-06 1.18774259E-09-6.96319686E-14 -5.03865650E+04-9.82600424E+01-2.93866665E-01 8.08589203E-02-6.33447432E-05 2.53685892E-08-4.12504952E-12-4.21493526E+04 3.19875845E+01 NEOC5KETOX 7/19/ 0 THERMC 5H 9O 2 0G 300.000 5000.000 1397.000 2.02085594E+01 1.98922444E-02-6.80238854E-06 1.05642957E-09-6.13207764E-14 -3.06516733E+04-7.91464968E+01-1.28848119E+00 7.23078481E-02-5.57421308E-05 2.18319155E-08-3.43735834E-12-2.34809037E+04 3.54017618E+01 NEOC5KEJOL 7/19/ 0 THERMC 5H 9O 2 0G 300.000 5000.000 1398.000 1.98786165E+01 1.96143658E-02-6.67699815E-06 1.03377708E-09-5.98769869E-14 -3.79829779E+04-7.56009507E+01-5.89078395E-01 6.96251860E-02-5.34739597E-05 2.09396311E-08-3.29975554E-12-3.11678008E+04 3.34219207E+01 IC4H6Q2-II 3/27/97 THERMC 4H 8O 4 0G 300.000 5000.000 1395.000 2.24051581E+01 1.75562429E-02-6.07364156E-06 9.50166957E-10-5.54197350E-14 -3.21818575E+04-8.09661209E+01 5.23327960E+00 6.08735678E-02-4.90787099E-05 2.07966368E-08-3.60550230E-12-2.64988062E+04 1.01881862E+01 CH2O2H 3/27/97 THERMC 1H 3O 2 0G 300.000 5000.000 1387.000 9.11485569E+00 5.08455401E-03-1.77434554E-06 2.79202873E-10-1.63513161E-14 3.77183263E+03-2.03682592E+01 4.59149302E+00 1.53929093E-02-1.08252672E-05 3.94840151E-09-5.98062430E-13 5.38276049E+03 4.04080670E+00 NEOC6H14 7/19/ 0 THERMC 6H 14 0 0G 300.000 5000.000 1397.000 2.06883286E+01 2.88781796E-02-9.81789236E-06 1.51824834E-09-8.78482687E-14 -3.33494682E+04-8.99844746E+01-3.12747832E+00 8.44727715E-02-5.93030427E-05 2.15157398E-08-3.18466066E-12-2.51021282E+04 3.78888101E+01 FC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1397.000 2.02634240E+01 2.67379786E-02-9.08984494E-06 1.40565477E-09-8.13342971E-14 -8.27920571E+03-8.37456502E+01-2.36606554E+00 7.99561662E-02-5.68809640E-05 2.09107562E-08-3.13360357E-12-4.88329998E+02 3.76080899E+01 GC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1390.000 2.00983090E+01 2.64273080E-02-8.89430923E-06 1.36679972E-09-7.87612858E-14 -9.64324892E+03-8.34925532E+01-1.92822448E+00 7.49679480E-02-4.80272338E-05 1.48963904E-08-1.73201411E-12-1.79782876E+03 3.56787694E+01 HC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.000 5000.000 1397.000 2.02634240E+01 2.67379786E-02-9.08984494E-06 1.40565477E-09-8.13342971E-14 -8.27920571E+03-8.48427815E+01-2.36606554E+00 7.99561662E-02-5.68809640E-05 2.09107562E-08-3.13360357E-12-4.88329998E+02 3.65109585E+01 NEOC6H12 2/14/95 C 6H 12 0 0G 300.000 5000.000 1398.00 1.97012900E+01 2.49282969E-02-8.43267154E-06 1.29989939E-09-7.50557893E-14 -1.69324896E+04-8.35619319E+01-3.56898987E+00 8.16665279E-02-6.15853251E-05 2.40142734E-08-3.80041411E-12-9.14831349E+03 4.04711010E+01 NEOC6H11 2/14/95 C 6H 11 0 0G 300.000 5000.000 1397.00 1.90679022E+01 2.29697448E-02-7.76782362E-06 1.19718933E-09-6.91168613E-14 1.22301063E+04-7.79377125E+01-1.79052001E+00 7.31749968E-02-5.40628622E-05 2.06333931E-08-3.19855898E-12 1.92749294E+04 3.34750987E+01 FC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1392.000 2.37102479E+01 2.91395292E-02-1.00597409E-05 1.57146927E-09-9.15628844E-14 -2.73396885E+04-9.77395504E+01-5.61462407E-01 8.71883025E-02-6.44783024E-05 2.53831095E-08-4.17008314E-12-1.89538664E+04 3.22894664E+01 GC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1394.000 2.45260573E+01 2.84490265E-02-9.82240119E-06 1.53453641E-09-8.94178441E-14 -2.99457263E+04-1.04434731E+02-1.55556582E+00 9.34239086E-02-7.35777731E-05 3.06853455E-08-5.27129458E-12-2.12144697E+04 3.43353231E+01 HC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.000 5000.000 1392.000 2.37102479E+01 2.91395292E-02-1.00597409E-05 1.57146927E-09-9.15628844E-14 -2.73396885E+04-9.88366817E+01-5.61462407E-01 8.71883025E-02-6.44783024E-05 2.53831095E-08-4.17008314E-12-1.89538664E+04 3.11923351E+01 FC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1393.000 2.61780187E+01 2.92966710E-02-1.01449987E-05 1.58819921E-09-9.26814265E-14 -4.52565509E+04-1.12068421E+02-1.54811668E+00 9.61342900E-02-7.28115900E-05 2.87722241E-08-4.67586340E-12-3.57994117E+04 3.61639856E+01 GC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1395.000 2.70339581E+01 2.86177672E-02-9.92190554E-06 1.55456810E-09-9.07725944E-14 -4.79055155E+04-1.19056991E+02-2.64665027E+00 1.02572555E-01-8.19250167E-05 3.39948331E-08-5.75016084E-12-3.80376188E+04 3.87456910E+01 HC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.000 5000.000 1393.000 2.61780187E+01 2.92966710E-02-1.01449987E-05 1.58819921E-09-9.26814265E-14 -4.52565509E+04-1.13165553E+02-1.54811668E+00 9.61342900E-02-7.28115900E-05 2.87722241E-08-4.67586340E-12-3.57994117E+04 3.50668542E+01 FC6H13O 1/16/95 THERMC 6H 13O 1 0G 300.000 5000.000 1398.00 2.19506802E+01 2.78807846E-02-9.49093306E-06 1.46903638E-09-8.50580133E-14 -2.56026061E+04-9.14107485E+01-3.49617824E+00 8.95274691E-02-6.70020157E-05 2.60162991E-08-4.11801184E-12-1.70244357E+04 4.44082731E+01 GC6H13O 1/16/95 THERMC 6H 13O 1 0G 300.000 5000.000 1401.00 2.22747766E+01 2.78536708E-02-9.53253346E-06 1.48052850E-09-8.59198553E-14 -2.78595936E+04-9.52702910E+01-3.65643661E+00 9.24742447E-02-7.21714167E-05 2.94468055E-08-4.90302426E-12-1.92676625E+04 4.25451451E+01 HC6H13O 1/16/95 THERMC 6H 13O 1 0G 300.000 5000.000 1398.00 2.19506802E+01 2.78807846E-02-9.49093306E-06 1.46903638E-09-8.50580133E-14 -2.56026061E+04-9.25078799E+01-3.49617824E+00 8.95274691E-02-6.70020157E-05 2.60162991E-08-4.11801184E-12-1.70244357E+04 4.33111417E+01 FC6H12OOH-F 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1395.000 2.52922337E+01 2.77042620E-02-9.54577539E-06 1.48939008E-09-8.67122763E-14 -1.99561911E+04-1.04223594E+02-9.24323257E-01 9.23866483E-02-7.18599509E-05 2.92825851E-08-4.89291230E-12-1.11678466E+04 3.54020321E+01 FC6H12OOH-G 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1388.000 2.57676821E+01 2.62258001E-02-8.82270792E-06 1.35621249E-09-7.81931437E-14 -2.15187960E+04-1.06366255E+02-8.40507959E-01 8.86249115E-02-6.40314147E-05 2.32545792E-08-3.36436618E-12-1.24172814E+04 3.62616670E+01 FC6H12OOH-H 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1395.000 2.52922337E+01 2.77042620E-02-9.54577539E-06 1.48939008E-09-8.67122763E-14 -1.99561911E+04-1.04223594E+02-9.24323257E-01 9.23866483E-02-7.18599509E-05 2.92825851E-08-4.89291230E-12-1.11678466E+04 3.54020321E+01 GC6H12OOH-F 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1397.000 2.61512785E+01 2.70552398E-02-9.33998320E-06 1.45917190E-09-8.50304926E-14 -2.26063259E+04-1.10138274E+02-1.72891922E+00 9.76204170E-02-7.92048197E-05 3.34324323E-08-5.73579333E-12-1.34537694E+04 3.76906323E+01 GC6H12OOH-H 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1397.000 2.61512785E+01 2.70552398E-02-9.33998320E-06 1.45917190E-09-8.50304926E-14 -2.26063259E+04-1.11235406E+02-1.72891922E+00 9.76204170E-02-7.92048197E-05 3.34324323E-08-5.73579333E-12-1.34537694E+04 3.65935010E+01 HC6H12OOH-F 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1393.000 2.57548319E+01 2.71643102E-02-9.42176702E-06 1.47658143E-09-8.62334695E-14 -2.01908878E+04-1.06940027E+02-7.73398133E-01 9.15430265E-02-7.02673913E-05 2.80955433E-08-4.61063869E-12-1.11872062E+04 3.47327927E+01 HC6H12OOH-G 7/19/ 0 THRMC 6H 13O 2 0G 300.000 5000.000 1387.000 2.59299895E+01 2.61680725E-02-8.90578623E-06 1.37926008E-09-7.99236377E-14 -2.16345167E+04-1.08495716E+02-7.73208347E-01 8.82744110E-02-6.34256303E-05 2.28594199E-08-3.28719066E-12-1.24263757E+04 3.48620048E+01 FC6H12OOH-FO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1390.000 2.95869436E+01 2.88579139E-02-1.00684244E-05 1.58411517E-09-9.27645064E-14 -3.93685741E+04-1.23039430E+02 5.36907252E-01 1.00675980E-01-8.01053237E-05 3.35042189E-08-5.76745163E-12-2.95718513E+04 3.17502699E+01 FC6H12OOH-GO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1392.000 3.02838041E+01 2.82247393E-02-9.84085526E-06 1.54763899E-09-9.06019981E-14 -4.19066863E+04-1.27213422E+02-2.05506240E-01 1.05828378E-01-8.78193981E-05 3.80303627E-08-6.70677990E-12-3.18701333E+04 3.44166306E+01 FC6H12OOH-HO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1390.000 2.95869436E+01 2.88579139E-02-1.00684244E-05 1.58411517E-09-9.27645064E-14 -3.93685741E+04-1.23039430E+02 5.36907252E-01 1.00675980E-01-8.01053237E-05 3.35042189E-08-5.76745163E-12-2.95718513E+04 3.17502699E+01 GC6H12OOH-FO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1392.000 3.02838041E+01 2.82247393E-02-9.84085526E-06 1.54763899E-09-9.06019981E-14 -4.19066863E+04-1.27213422E+02-2.05506240E-01 1.05828378E-01-8.78193981E-05 3.80303627E-08-6.70677990E-12-3.18701333E+04 3.44166306E+01 GC6H12OOH-HO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1392.000 3.02838041E+01 2.82247393E-02-9.84085526E-06 1.54763899E-09-9.06019981E-14 -4.19066863E+04-1.28310554E+02-2.05506240E-01 1.05828378E-01-8.78193981E-05 3.80303627E-08-6.70677990E-12-3.18701333E+04 3.33194992E+01 HC6H12OOH-FO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1390.000 2.95869436E+01 2.88579139E-02-1.00684244E-05 1.58411517E-09-9.27645064E-14 -3.93685741E+04-1.23039430E+02 5.36907252E-01 1.00675980E-01-8.01053237E-05 3.35042189E-08-5.76745163E-12-2.95718513E+04 3.17502699E+01 HC6H12OOH-GO2 7/19/ 0 TMC 6H 13O 4 0G 300.000 5000.000 1392.000

SUPPLEMENTAL MATERIAL 3.02838041E+01 2.82247393E-02-9.84085526E-06 1.54763899E-09-9.06019981E-14 -4.19066863E+04-1.28310554E+02-2.05506240E-01 1.05828378E-01-8.78193981E-05 3.80303627E-08-6.70677990E-12-3.18701333E+04 3.33194992E+01 F-FC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1382.000 2.13606068E+01 2.67542440E-02-9.13564452E-06 1.41838522E-09-8.23439338E-14 -3.03537290E+04-9.34602434E+01-5.17796040E+00 8.84596282E-02-6.39932049E-05 2.36822771E-08-3.57224758E-12-2.11228410E+04 4.91517984E+01 F-GC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1385.000 2.19623594E+01 2.62358857E-02-8.95513764E-06 1.39002454E-09-8.06848444E-14 -3.27028757E+04-9.70643786E+01-5.82300835E+00 9.33632895E-02-7.17044682E-05 2.84038503E-08-4.58865464E-12-2.32884902E+04 5.13560020E+01 F-HC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1387.000 1.94772949E+01 2.91330961E-02-1.00192785E-05 1.56171623E-09-9.08729403E-14 -4.00595084E+04-8.34254062E+01-6.61045443E+00 9.07933989E-02-6.66326370E-05 2.56589087E-08-4.09582804E-12-3.10163489E+04 5.65223679E+01 G-HC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.000 5000.000 1394.000 2.14800220E+01 2.67940165E-02-9.25261115E-06 1.44571833E-09-8.42514010E-14 -3.17561526E+04-9.36825135E+01-4.91627107E+00 9.49026173E-02-7.87767510E-05 3.44682832E-08-6.14848032E-12-2.31482365E+04 4.59393130E+01 NEOC6KETFF 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1392.000 2.72727672E+01 2.60688207E-02-9.08873182E-06 1.42942655E-09-8.36881939E-14 -5.44834095E+04-1.13122106E+02-4.71979044E-01 9.28529398E-02-7.12975423E-05 2.81125362E-08-4.51809303E-12-4.50454468E+04 3.51866878E+01 NEOC6KETFG 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1394.000 2.81044778E+01 2.54001164E-02-8.86679190E-06 1.39572362E-09-8.17648161E-14 -5.71123144E+04-1.18848431E+02-1.32156732E+00 9.82848291E-02-7.90144458E-05 3.25064227E-08-5.41428630E-12-4.73239311E+04 3.76920843E+01 NEOC6KETFH 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1392.000 2.72727672E+01 2.60688207E-02-9.08873182E-06 1.42942655E-09-8.36881939E-14 -5.44834095E+04-1.13811588E+02-4.71979044E-01 9.28529398E-02-7.12975423E-05 2.81125362E-08-4.51809303E-12-4.50454468E+04 3.44972062E+01 NEOC6KETGF 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1390.000 2.69796423E+01 2.64361312E-02-9.24205406E-06 1.45616518E-09-8.53596902E-14 -5.82452596E+04-1.12950519E+02-1.02131420E+00 9.33223611E-02-7.10872356E-05 2.78235100E-08-4.44983402E-12-4.86532168E+04 3.69366766E+01 NEOC6KETGH 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1387.000 2.68298718E+01 2.65743988E-02-9.29166512E-06 1.46406502E-09-8.58245747E-14 -5.81942079E+04-1.12224196E+02 8.68698184E-01 8.73553612E-02-6.44754197E-05 2.46810718E-08-3.90390558E-12-4.91297898E+04 2.72623041E+01 NEOC6KETHF 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1390.000 2.69735434E+01 2.62533275E-02-9.13571109E-06 1.43492261E-09-8.39306598E-14 -5.47961402E+04-1.11827333E+02 7.03565713E-01 9.02925836E-02-7.02592307E-05 2.85722308E-08-4.77942427E-12-4.58809214E+04 2.84124478E+01 NEOC6KETHG 7/19/ 0 THERMC 6H 12O 3 0G 300.000 5000.000 1394.000 2.81523897E+01 2.53352436E-02-8.83843442E-06 1.39062394E-09-8.14390345E-14 -5.71374512E+04-1.19922325E+02-1.99397589E+00 1.02364749E-01-8.59063234E-05 3.70316851E-08-6.44216262E-12-4.73177857E+04 3.96591886E+01 NEOC6H12OH 6/25/99 THERMC 6H 13O 1 0G 300.000 5000.000 1389.000 2.24527821E+01 2.60793463E-02-8.68394492E-06 1.32560431E-09-7.60559598E-14 -2.84231560E+04-9.18021258E+01-1.52567590E+00 8.02031847E-02-5.36232361E-05 1.74712659E-08-2.16209092E-12-2.00526370E+04 3.74059561E+01 NEOO2C6H12OH 6/25/99 TRMC 6H 13O 3 0G 300.000 5000.000 1401.000 2.55026585E+01 2.90372103E-02-9.86973534E-06 1.52576748E-09-8.82548203E-14 -4.80167362E+04-1.03855843E+02 2.36309936E-01 9.25300019E-02-7.21544886E-05 2.97296527E-08-5.01780844E-12-3.96815433E+04 3.02656735E+01 TC4H9CHO 8/16/95 THERMC 5H 10O 1 0G 300.000 5000.000 1396.000 1.84056359E+01 2.15282423E-02-7.38655530E-06 1.14941999E-09-6.68003745E-14 -3.84092887E+04-7.49886911E+01-1.75588233E+00 6.88741216E-02-4.97161071E-05 1.82921650E-08-2.72056934E-12-3.14740629E+04 3.31334480E+01 TC4H9CO 8/30/95 THERMC 5H 9O 1 0G 300.000 5000.000 1397.000 1.79864364E+01 1.94014364E-02-6.66715870E-06 1.03859646E-09-6.04064572E-14 -1.94463168E+04-7.10669249E+01-9.77833363E-01 6.40573484E-02-4.66408868E-05 1.72142682E-08-2.55681305E-12-1.29463546E+04 3.05727393E+01 NEOC5H11CHO 2/22/96 THRMC 6H 12O 1 0G 300.000 5000.000 1389.000 2.18201927E+01 2.52377174E-02-8.54143105E-06 1.31748241E-09-7.61162071E-14 -4.30014287E+04-9.04886577E+01-8.55055790E-01 7.84141706E-02-5.61118726E-05 2.06552815E-08-3.09316611E-12-3.51846120E+04 3.11579584E+01 NEOC5H11CO 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1389.000 2.14212795E+01 2.30660325E-02-7.80141198E-06 1.20297700E-09-6.94913508E-14 -2.40435967E+04-8.66726580E+01-7.52080307E-02 7.36039955E-02-5.30639735E-05 1.95915376E-08-2.93137730E-12-1.66575190E+04 2.85861268E+01 TC4H9CHCHO 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1396.000 2.14752890E+01 2.36014241E-02-8.10397528E-06 1.26166539E-09-7.33474247E-14 -2.27119417E+04-8.90752242E+01-1.31262503E+00 7.86201120E-02-5.92909129E-05 2.30755955E-08-3.65696322E-12-1.50035752E+04 3.26318784E+01 TC4H8CH2CHO 2/22/96 THRMC 6H 11O 1 0G 300.000 5000.000 1389.000 2.14180044E+01 2.30596274E-02-7.79730044E-06 1.20214639E-09-6.94356131E-14 -1.79408139E+04-8.54690188E+01-6.56574366E-02 7.37823389E-02-5.35327810E-05 1.99576223E-08-3.02272389E-12-1.05752494E+04 2.96538454E+01 IC4H7CHO 2/9/96 THERMC 5H 8O 1 0G 300.000 5000.000 1389.000 1.54855457E+01 1.95046502E-02-6.72217668E-06 1.04894682E-09-6.10722450E-14 -2.09191675E+04-5.37964397E+01 7.35614389E-01 5.25913841E-02-3.51785603E-05 1.23024544E-08-1.79751073E-12-1.56061967E+04 2.59957375E+01 IC4H7CO 2/9/96 THERMC 5H 7O 1 0G 300.000 5000.000 1389.000 1.50719878E+01 1.73699154E-02-5.99945908E-06 9.37552201E-10-5.46431990E-14 -1.95861047E+03-4.99069151E+01 1.51384222E+00 4.77704979E-02-3.20899057E-05 1.12121124E-08-1.63036012E-12 2.92154531E+03 2.34347421E+01 AC3H4CH2CHO 2/9/96 THERMC 5H 7O 1 0G 300.000 5000.000 1390.000 1.64194720E+01 1.64616603E-02-5.73985444E-06 9.02736216E-10-5.28504586E-14 -2.92593174E+03-5.92282775E+01-1.83421579E-01 5.69425872E-02-4.44368280E-05 1.81316803E-08-3.04488510E-12 2.71337433E+03 2.94114305E+01 IC3H5CHCHO 2/9/96 THERMC 5H 7O 1 0G 300.000 5000.000 1384.000 1.55879026E+01 1.72145243E-02-6.01031631E-06 9.46110380E-10-5.54239488E-14 -4.07176338E+03-5.58106280E+01 4.50097887E-01 5.06462097E-02-3.39761191E-05 1.15595445E-08-1.60919494E-12 1.41572991E+03 2.62377323E+01 IC5H11CHO-B 2/22/96 TERMC 6H 12O 1 0G 300.000 5000.000 1396.000 2.15744130E+01 2.60224049E-02-8.92999252E-06 1.38968429E-09-8.07654716E-14 -4.25078380E+04-8.94841933E+01-1.95086598E+00 8.09362173E-02-5.77563918E-05 2.10785001E-08-3.12058559E-12-3.43674601E+04 3.68195576E+01 IC5H11CO-B 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1396.000 2.11552282E+01 2.38954402E-02-8.21051273E-06 1.27884511E-09-7.43705452E-14 -2.35448009E+04-8.55623232E+01-1.17119594E+00 7.61129814E-02-5.46721040E-05 1.99951316E-08-2.95563643E-12-1.58400178E+04 3.42511825E+01 IC5H10CHO-BA 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1396.000 2.10828109E+01 2.39475767E-02-8.22615238E-06 1.28102048E-09-7.44857694E-14 -1.74086872E+04-8.39476135E+01-1.09037068E+00 7.60101055E-02-5.48702030E-05 2.02628794E-08-3.03569892E-12-9.76870215E+03 3.49854667E+01 IC5H10CHO-BC 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1384.000 2.14679298E+01 2.27371253E-02-7.63568527E-06 1.17255087E-09-6.75621859E-14 -1.89598128E+04-8.56463855E+01-8.06006524E-01 7.13874348E-02-4.57221361E-05 1.34800661E-08-1.35739169E-12-1.10499018E+04 3.49068663E+01 IC5H10CHO-BD 2/22/96 TRMC 6H 11O 1 0G 300.000 5000.000 1396.000 2.10828109E+01 2.39475767E-02-8.22615238E-06 1.28102048E-09-7.44857694E-14 -1.74086872E+04-8.39476135E+01-1.09037068E+00 7.60101055E-02-5.48702030E-05 2.02628794E-08-3.03569892E-12-9.76870215E+03 3.49854667E+01 C4H7CHO1-2 2/22/96 THERMC 5H 8O 1 0G 300.000 5000.000 1396.000 1.70314021E+01 1.79985814E-02-6.16116444E-06 9.57152360E-10-5.55594577E-14 -2.41225113E+04-6.41440981E+01-6.61811876E-01 6.32800894E-02-5.16238022E-05 2.20783756E-08-3.84261100E-12-1.83560139E+04 2.95070519E+01 C4H7CO1-2 2/22/96 THERMC 5H 7O 1 0G 300.000 5000.000 1397.000 1.64651768E+01 1.59062251E-02-5.43230323E-06 8.42521096E-10-4.88461570E-14 -7.98516509E+03-6.03394256E+01 5.78897418E-01 5.84282121E-02-5.03642354E-05 2.27849982E-08-4.15814487E-12-2.97157417E+03 2.31234279E+01 C4H6CHO1-23 2/22/96 THRMC 5H 7O 1 0G 300.000 5000.000 1393.000 1.70700605E+01 1.58429731E-02-5.51236151E-06 8.65805032E-10-5.06440128E-14 -7.26250822E+03-6.58289198E+01-9.31628556E-01 6.12341022E-02-5.02868148E-05 2.13004977E-08-3.65759355E-12-1.33540534E+03 2.96839881E+01 C4H6CHO1-24 2/22/96 THRMC 5H 7O 1 0G 300.000 5000.000 1396.000 1.65787886E+01 1.59193750E-02-5.46203212E-06 8.49860281E-10-4.93850669E-14 9.53024381E+02-5.88586589E+01 1.38121554E-01 5.86072858E-02-4.90075315E-05 2.13914653E-08-3.78147426E-12 6.25168344E+03 2.79483683E+01 C4H7CHO2-2 2/22/96 THERMC 5H 8O 1 0G 300.000 5000.000 1373.000 1.85742205E+01 1.76938836E-02-6.28424851E-06 1.00058128E-09-5.90822128E-14 -2.83855697E+04-6.41544390E+01 6.15935992E-01 5.51334615E-02-3.47129984E-05 1.02579326E-08-1.13256581E-12-2.16677843E+04 3.39479618E+01 C4H7CO2-2 2/22/96 THERMC 5H 7O 1 0G 300.000 5000.000 1374.000 1.80523043E+01 1.55168113E-02-5.51619574E-06 8.78829645E-10-5.19148464E-14 -1.22598579E+04-6.05879823E+01 1.78033270E+00 5.05901427E-02-3.38410622E-05 1.11462050E-08-1.47665417E-12-6.27122730E+03 2.79228200E+01 C4H6CHO2-21 2/22/96 THRMC 5H 7O 1 0G 300.000 5000.000 1375.000 2.00498672E+01 1.39851005E-02-5.02791277E-06 8.07075446E-10-4.79266025E-14 -1.05938864E+04-7.26722565E+01-7.65559619E-01 6.09311778E-02-4.44935207E-05 1.54896947E-08-2.08729427E-12-3.26896739E+03 3.96002309E+01 C4H6CHO2-24 2/22/96 THRMC 5H 7O 1 0G 300.000 5000.000 1375.000 2.00498672E+01 1.39851005E-02-5.02791277E-06 8.07075446E-10-4.79266025E-14 -1.05938864E+04-7.26722565E+01-7.65559619E-01 6.09311778E-02-4.44935207E-05 1.54896947E-08-2.08729427E-12-3.26896739E+03 3.96002309E+01 CH2CCHCH3 11/10/98 THERMC 4H 6 0 0G 300.000 5000.000 1381.000 1.08905899E+01 1.41994372E-02-4.92125565E-06 7.70807110E-10-4.49953094E-14 2.14369382E+03-4.35429426E+01 1.47976771E+00 3.29482486E-02-1.83137798E-05 4.76168299E-09-4.43886261E-13 5.79099825E+03 8.24035164E+00 TC4H9COCH3 2/22/96 THERMC 6H 12O 1 0G 300.000 5000.000 1393.000 2.11627268E+01 2.65726365E-02-9.16335571E-06 1.43058385E-09-8.33259468E-14 -4.62269052E+04-8.79567628E+01-2.35641565E+00 8.09105638E-02-5.70901384E-05 2.06789814E-08-3.05872867E-12-3.79999022E+04 3.85681263E+01 TC4H9COCH2 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1395.000 2.17668106E+01 2.36161495E-02-8.16684421E-06 1.27747930E-09-7.45104835E-14 -2.48661491E+04-9.17111915E+01-2.76756040E+00 8.39187118E-02-6.56654850E-05 2.65177439E-08-4.35600571E-12-1.66578112E+04 3.89719794E+01 TC4H8COCH3 2/22/96 THERMC 6H 11O 1 0G 300.000 5000.000 1393.000 2.07384786E+01 2.44442931E-02-8.44209095E-06 1.31932525E-09-7.69007570E-14 -2.11608509E+04-8.28281002E+01-1.56934402E+00 7.62576905E-02-5.44391068E-05 1.99294063E-08-2.97631443E-12-1.33894493E+04 3.70757484E+01 CH2CCHO 2/22/96 THERMC 3H 3O 1 0G 300.000 5000.000 1390.000 9.78111516E+00 7.50969243E-03-2.61556340E-06 4.11046955E-10-2.40514603E-14 1.42055163E+04-2.50656489E+01 1.99806192E+00 2.72342740E-02-2.24050331E-05 9.68257238E-09-1.71138082E-12 1.67830831E+04 1.62359919E+01 IC3H6CHCHO 2/22/96 THERMC 5H 8O 1 0G 300.000 5000.000 1390.000 1.63675823E+01 1.87451250E-02-6.45819146E-06 1.00755791E-09-5.86556682E-14 -2.62213524E+04-6.09272424E+01 9.93060772E-01 5.49646074E-02-3.97614860E-05 1.52758656E-08-2.45467180E-12-2.08566834E+04 2.16296532E+01 IC3H6CHCO 2/22/96 THERMC 5H 7O 1 0G 300.000 5000.000 1391.000 1.58085413E+01 1.66403790E-02-5.72382460E-06 8.91951253E-10-5.18812580E-14 -1.00869837E+04-5.71631569E+01 2.23189681E+00 5.01107112E-02-3.84870329E-05 1.59662893E-08-2.76546877E-12-5.47169716E+03 1.52567763E+01 AC3H5CHCHO 2/22/96 THERMC 5H 7O 1 0G 300.000 5000.000 1390.000 1.72875644E+01 1.57675234E-02-5.51022766E-06 8.67936068E-10-5.08670021E-14 -8.24598860E+03-6.63266554E+01 1.73821731E-01 5.86562259E-02-4.78711610E-05 2.03690778E-08-3.54093615E-12-2.54631956E+03 2.46335643E+01 CH3CHOCHO 11/14/95 THERMC 3H 5O 2 0G 300.000 5000.000 1395.000 1.27827539E+01 1.21529347E-02-4.21228103E-06 6.59844007E-10-3.85228684E-14 -2.15946846E+04-3.94512036E+01 5.06096897E-01 4.26121702E-02-3.37628379E-05 1.39422914E-08-2.35317319E-12-1.74952136E+04 2.58742916E+01 NEOC7H16 4/11/ 1 THERMC 7H 16 0 0G 300.000 5000.000 1397.000 2.39323172E+01 3.31782362E-02-1.12668494E-05 1.74099807E-09-1.00684665E-13 -3.74498789E+04-1.05938832E+02-3.45771037E+00 9.72014646E-02-6.83249164E-05 2.48220102E-08-3.67746004E-12-2.79771408E+04 4.10888515E+01 NC7H15 4/11/ 1 THERMC 7H 15 0 0G 300.000 5000.000 1397.000 2.35128171E+01 3.10371540E-02-1.05393955E-05 1.62859656E-09-9.41860827E-14 -1.23839746E+04-9.97354960E+01-2.68778642E+00 9.26426584E-02-6.58335470E-05 2.41758097E-08-3.61820834E-12-3.36453908E+03 4.07694885E+01 OC7H15 4/11/ 1 THERMC 7H 15 0 0G 300.000 5000.000 1390.000 2.33667406E+01 3.07319555E-02-1.03508107E-05 1.59137519E-09-9.17310563E-14 -1.37695377E+04-9.96212012E+01-2.19681832E+00 8.73134079E-02-5.63690703E-05 1.77635552E-08-2.12899352E-12-4.67937082E+03 3.86153467E+01 PC7H15 4/11/ 1 THERMC 7H 15 0 0G 300.000 5000.000 1390.000 2.33667406E+01 3.07319555E-02-1.03508107E-05 1.59137519E-09-9.17310563E-14 -1.37695377E+04-9.96212012E+01-2.19681832E+00 8.73134079E-02-5.63690703E-05 1.77635552E-08-2.12899352E-12-4.67937082E+03 3.86153467E+01 QC7H15 4/11/ 1 THERMC 7H 15 0 0G 300.000 5000.000 1397.000 2.35128171E+01 3.10371540E-02-1.05393955E-05 1.62859656E-09-9.41860827E-14 -1.23839746E+04-1.00832627E+02-2.68778642E+00 9.26426584E-02-6.58335470E-05 2.41758097E-08-3.61820834E-12-3.36453908E+03 3.96723571E+01 OC7H14 4/11/ 1 THERMC 7H 14 0 0G 300.000 5000.000 1395.000 2.24887015E+01 2.96738400E-02-1.00479879E-05 1.54993215E-09-8.95338318E-14 -2.23998822E+04-9.74394979E+01-3.31532000E+00 9.05539714E-02-6.48360116E-05 2.39274057E-08-3.58919418E-12-1.35509173E+04 4.08439338E+01 PC7H14 4/11/ 1 THERMC 7H 14 0 0G 300.000 5000.000 1398.000 2.28180567E+01 2.94777078E-02-9.99646834E-06 1.54338994E-09-8.92080381E-14 -2.15138751E+04-9.88510108E+01-3.81851414E+00 9.39380534E-02-6.99390936E-05 2.69897745E-08-4.23959224E-12-1.25406477E+04 4.33207277E+01 OC7H13-N 6/25/99 THERMC 7H 13 0 0G 300.000 5000.000 1395.000 2.20750395E+01 2.75256463E-02-9.31780257E-06 1.43709007E-09-8.30094636E-14

SUPPLEMENTAL MATERIAL 2.62318023E+03-9.12695756E+01-2.54216855E+00 8.59862780E-02-6.23331815E-05 2.32747106E-08-3.52870696E-12 1.10207665E+04 4.05083770E+01 PC7H13-N 6/25/99 THERMC 7H 13 0 0G 300.000 5000.000 1399.000 2.24002497E+01 2.73317458E-02-9.26655367E-06 1.43052195E-09-8.26789137E-14 3.51247952E+03-9.26502255E+01-3.09705753E+00 8.95950899E-02-6.77627545E-05 2.65306123E-08-4.21967399E-12 1.20389816E+04 4.32306185E+01 PC7H13-O 6/25/99 THERMC 7H 13 0 0G 300.000 5000.000 1399.000 2.24239478E+01 2.77773712E-02-9.43034332E-06 1.45721528E-09-8.42812364E-14 -4.46272573E+03-9.79639287E+01-4.14452445E+00 9.22987225E-02-6.95252835E-05 2.69504089E-08-4.23040646E-12 4.44515847E+03 4.37314430E+01 PC7H13O-O 5/14/ 3 THERMC 7H 13O 1 0G 300.000 5000.000 1398.000 2.70665020E+01 2.54409611E-02-8.53248547E-06 1.30919024E-09-7.53950497E-14 -1.64143986E+04-1.18716143E+02-4.66019213E+00 1.04558207E-01-8.37076856E-05 3.35735802E-08-5.34053845E-12-6.09495634E+03 4.95722813E+01 NC7H15O2 4/11/ 1 THERMC 7H 15O 2 0G 300.000 5000.000 1392.000 2.68728540E+01 3.36470348E-02-1.16095500E-05 1.81291039E-09-1.05603810E-13 -3.14367980E+04-1.13299239E+02-7.28733137E-01 9.91363594E-02-7.23619912E-05 2.80830549E-08-4.55317178E-12-2.18516784E+04 3.47483179E+01 OC7H15O2 4/11/ 1 THERMC 7H 15O 2 0G 300.000 5000.000 1394.000 2.77264744E+01 3.29353264E-02-1.13674121E-05 1.77549892E-09-1.03442100E-13 -3.40651164E+04-1.19539251E+02-1.73310415E+00 1.05358715E-01-8.13190924E-05 3.32489557E-08-5.61789246E-12-2.41096371E+04 3.75409119E+01 PC7H15O2 4/11/ 1 THERMC 7H 15O 2 0G 300.000 5000.000 1394.000 2.77264744E+01 3.29353264E-02-1.13674121E-05 1.77549892E-09-1.03442100E-13 -3.40651164E+04-1.19539251E+02-1.73310415E+00 1.05358715E-01-8.13190924E-05 3.32489557E-08-5.61789246E-12-2.41096371E+04 3.75409119E+01 QC7H15O2 4/11/ 1 THERMC 7H 15O 2 0G 300.000 5000.000 1392.000 2.68728540E+01 3.36470348E-02-1.16095500E-05 1.81291039E-09-1.05603810E-13 -3.14367980E+04-1.14396370E+02-7.28733137E-01 9.91363594E-02-7.23619912E-05 2.80830549E-08-4.55317178E-12-2.18516784E+04 3.36511866E+01 NC7H15O2H 4/11/ 1 THERMC 7H 16O 2 0G 300.000 5000.000 1393.000 2.93521507E+01 3.37808675E-02-1.16838691E-05 1.82763853E-09-1.06594118E-13 -4.93567184E+04-1.27690246E+02-1.75784767E+00 1.08260149E-01-8.09423379E-05 3.16099898E-08-5.08629553E-12-3.86905437E+04 3.88215641E+01 OC7H15O2H 4/11/ 1 THERMC 7H 16O 2 0G 300.000 5000.000 1395.000 3.02387000E+01 3.30982482E-02-1.14644388E-05 1.79509521E-09-1.04769542E-13 -5.20241289E+04-1.34180355E+02-2.77503359E+00 1.14327505E-01-8.94180785E-05 3.64099346E-08-6.06461062E-12-4.09413628E+04 4.17150529E+01 PC7H15O2H 4/11/ 1 THERMC 7H 16O 2 0G 300.000 5000.000 1395.000 3.02387000E+01 3.30982482E-02-1.14644388E-05 1.79509521E-09-1.04769542E-13 -5.20241289E+04-1.34180355E+02-2.77503359E+00 1.14327505E-01-8.94180785E-05 3.64099346E-08-6.06461062E-12-4.09413628E+04 4.17150529E+01 QC7H15O2H 4/11/ 1 THERMC 7H 16O 2 0G 300.000 5000.000 1393.000 2.93521507E+01 3.37808675E-02-1.16838691E-05 1.82763853E-09-1.06594118E-13 -4.93567184E+04-1.28787377E+02-1.75784767E+00 1.08260149E-01-8.09423379E-05 3.16099898E-08-5.08629553E-12-3.86905437E+04 3.77244327E+01 NC7H15O 4/11/ 1 THERMC 7H 15O 1 0G 300.000 5000.000 1397.000 2.54093151E+01 3.21284629E-02-1.09485520E-05 1.69576547E-09-9.82275796E-14 -2.96013576E+04-1.08338626E+02-2.77832151E+00 9.97392862E-02-7.33744577E-05 2.80807810E-08-4.39620206E-12-2.00154366E+04 4.23755436E+01 OC7H15O 4/11/ 1 THERMC 7H 15O 1 0G 300.000 5000.000 1401.000 2.60236775E+01 3.15366168E-02-1.07286791E-05 1.65979066E-09-9.60653992E-14 -3.19294066E+04-1.13054460E+02-3.30243672E+00 1.04181670E-01-8.03713303E-05 3.22855774E-08-5.28010335E-12-2.22019925E+04 4.29036712E+01 PC7H15O 4/11/ 1 THERMC 7H 15O 1 0G 300.000 5000.000 1401.000 2.60236775E+01 3.15366168E-02-1.07286791E-05 1.65979066E-09-9.60653992E-14 -3.19294066E+04-1.13054460E+02-3.30243672E+00 1.04181670E-01-8.03713303E-05 3.22855774E-08-5.28010335E-12-2.22019925E+04 4.29036712E+01 QC7H15O 4/11/ 1 THERMC 7H 15O 1 0G 300.000 5000.000 1397.000 2.54093151E+01 3.21284629E-02-1.09485520E-05 1.69576547E-09-9.82275796E-14 -2.96013576E+04-1.09435758E+02-2.77832151E+00 9.97392862E-02-7.33744577E-05 2.80807810E-08-4.39620206E-12-2.00154366E+04 4.12784122E+01 NC7H14OOH-N2 4/11/ 1 TRMC 7H 15O 2 0G 300.000 5000.000 1393.000 2.89171501E+01 3.16723699E-02-1.09718312E-05 1.71806871E-09-1.00277328E-13 -2.42882354E+04-1.22498952E+02-9.49717609E-01 1.03525971E-01-7.81997530E-05 3.08245665E-08-4.99999542E-12-1.40834955E+04 3.72347173E+01 NC7H14OOH-Q 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1393.000 2.89171501E+01 3.16723699E-02-1.09718312E-05 1.71806871E-09-1.00277328E-13 -2.42882354E+04-1.22498952E+02-9.49717609E-01 1.03525971E-01-7.81997530E-05 3.08245665E-08-4.99999542E-12-1.40834955E+04 3.72347173E+01 QC7H14OOH-N 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1393.000 2.89171501E+01 3.16723699E-02-1.09718312E-05 1.71806871E-09-1.00277328E-13 -2.42882354E+04-1.22498952E+02-9.49717609E-01 1.03525971E-01-7.81997530E-05 3.08245665E-08-4.99999542E-12-1.40834955E+04 3.72347173E+01 NC7H14OOH-O 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1388.000 2.91005958E+01 3.06403148E-02-1.04364477E-05 1.61693646E-09-9.37125604E-14 -2.57261776E+04-1.22986116E+02-1.07147024E+00 1.00827076E-01-7.22177585E-05 2.61025935E-08-3.78449499E-12-1.53049993E+04 3.90198621E+01 NC7H14OOH-P 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1388.000 2.91005958E+01 3.06403148E-02-1.04364477E-05 1.61693646E-09-9.37125604E-14 -2.57261776E+04-1.22986116E+02-1.07147024E+00 1.00827076E-01-7.22177585E-05 2.61025935E-08-3.78449499E-12-1.53049993E+04 3.90198621E+01 QC7H14OOH-O 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1388.000 2.91005958E+01 3.06403148E-02-1.04364477E-05 1.61693646E-09-9.37125604E-14 -2.57261776E+04-1.24083247E+02-1.07147024E+00 1.00827076E-01-7.22177585E-05 2.61025935E-08-3.78449499E-12-1.53049993E+04 3.79227307E+01 QC7H14OOH-P 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1388.000 2.91005958E+01 3.06403148E-02-1.04364477E-05 1.61693646E-09-9.37125604E-14 -2.57261776E+04-1.24083247E+02-1.07147024E+00 1.00827076E-01-7.22177585E-05 2.61025935E-08-3.78449499E-12-1.53049993E+04 3.79227307E+01 OC7H14OOH-N 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1395.000 2.98207679E+01 3.09371545E-02-1.07259627E-05 1.68054551E-09-9.81286171E-14 -2.69497222E+04-1.27963837E+02-1.90208236E+00 1.09393311E-01-8.64280982E-05 3.54666523E-08-5.94024874E-12-1.63466426E+04 4.09009382E+01 OC7H14OOH-Q 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1395.000 2.98207679E+01 3.09371545E-02-1.07259627E-05 1.68054551E-09-9.81286171E-14 -2.69497222E+04-1.29060969E+02-1.90208236E+00 1.09393311E-01-8.64280982E-05 3.54666523E-08-5.94024874E-12-1.63466426E+04 3.98038069E+01 PC7H14OOH-N 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1395.000 2.98207679E+01 3.09371545E-02-1.07259627E-05 1.68054551E-09-9.81286171E-14 -2.69497222E+04-1.27963837E+02-1.90208236E+00 1.09393311E-01-8.64280982E-05 3.54666523E-08-5.94024874E-12-1.63466426E+04 4.09009382E+01 PC7H14OOH-Q 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1395.000 2.98207679E+01 3.09371545E-02-1.07259627E-05 1.68054551E-09-9.81286171E-14 -2.69497222E+04-1.29060969E+02-1.90208236E+00 1.09393311E-01-8.64280982E-05 3.54666523E-08-5.94024874E-12-1.63466426E+04 3.98038069E+01 OC7H14OOH-P 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1394.000 2.92450713E+01 3.08880713E-02-1.05942735E-05 1.64837346E-09-9.57957646E-14 -2.80619210E+04-1.25169499E+02-1.41799956E+00 1.04568281E-01-7.86140205E-05 3.03404784E-08-4.75444343E-12-1.76696497E+04 3.86982849E+01 PC7H14OOH-O 4/11/ 1 THRMC 7H 15O 2 0G 300.000 5000.000 1394.000 2.92450713E+01 3.08880713E-02-1.05942735E-05 1.64837346E-09-9.57957646E-14 -2.80619210E+04-1.25169499E+02-1.41799956E+00 1.04568281E-01-7.86140205E-05 3.03404784E-08-4.75444343E-12-1.76696497E+04 3.86982849E+01 NC7H14OOH-N2O2 4/11/ 1 MC 7H 15O 4 0G 300.000 5000.000 1390.000 3.27461708E+01 3.33884014E-02-1.16304964E-05 1.82791282E-09-1.06960255E-13 -4.34682340E+04-1.38590831E+02 2.71235932E-01 1.13087885E-01-8.87103508E-05 3.66740334E-08-6.25873873E-12-3.24554462E+04 3.46595957E+01 NC7H14OOH-QO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.27461708E+01 3.33884014E-02-1.16304964E-05 1.82791282E-09-1.06960255E-13 -4.34682340E+04-1.38590831E+02 2.71235932E-01 1.13087885E-01-8.87103508E-05 3.66740334E-08-6.25873873E-12-3.24554462E+04 3.46595957E+01 QC7H14OOH-NO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1390.000 3.27461708E+01 3.33884014E-02-1.16304964E-05 1.82791282E-09-1.06960255E-13 -4.34682340E+04-1.38590831E+02 2.71235932E-01 1.13087885E-01-8.87103508E-05 3.66740334E-08-6.25873873E-12-3.24554462E+04 3.46595957E+01 NC7H14OOH-OO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1392.000 3.34874008E+01 3.27205318E-02-1.13917470E-05 1.78978364E-09-1.04705549E-13 -4.60293416E+04-1.43032276E+02-4.63316342E-01 1.18140575E-01-9.61320467E-05 4.09554566E-08-7.13465436E-12-3.47537698E+04 3.72999360E+01 NC7H14OOH-PO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1392.000 3.34874008E+01 3.27205318E-02-1.13917470E-05 1.78978364E-09-1.04705549E-13 -4.60293416E+04-1.43032276E+02-4.63316342E-01 1.18140575E-01-9.61320467E-05 4.09554566E-08-7.13465436E-12-3.47537698E+04 3.72999360E+01 QC7H14OOH-OO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1392.000 3.34874008E+01 3.27205318E-02-1.13917470E-05 1.78978364E-09-1.04705549E-13 -4.60293416E+04-1.44129407E+02-4.63316342E-01 1.18140575E-01-9.61320467E-05 4.09554566E-08-7.13465436E-12-3.47537698E+04 3.62028046E+01 QC7H14OOH-PO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1392.000 3.34874008E+01 3.27205318E-02-1.13917470E-05 1.78978364E-09-1.04705549E-13 -4.60293416E+04-1.44129407E+02-4.63316342E-01 1.18140575E-01-9.61320467E-05 4.09554566E-08-7.13465436E-12-3.47537698E+04 3.62028046E+01 OC7H14OOH-NO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1392.000 3.34874008E+01 3.27205318E-02-1.13917470E-05 1.78978364E-09-1.04705549E-13 -4.60293416E+04-1.43032276E+02-4.63316342E-01 1.18140575E-01-9.61320467E-05 4.09554566E-08-7.13465436E-12-3.47537698E+04 3.72999360E+01 OC7H14OOH-QO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1392.000 3.34874008E+01 3.27205318E-02-1.13917470E-05 1.78978364E-09-1.04705549E-13 -4.60293416E+04-1.44129407E+02-4.63316342E-01 1.18140575E-01-9.61320467E-05 4.09554566E-08-7.13465436E-12-3.47537698E+04 3.62028046E+01 PC7H14OOH-NO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1392.000 3.34874008E+01 3.27205318E-02-1.13917470E-05 1.78978364E-09-1.04705549E-13 -4.60293416E+04-1.43032276E+02-4.63316342E-01 1.18140575E-01-9.61320467E-05 4.09554566E-08-7.13465436E-12-3.47537698E+04 3.72999360E+01 PC7H14OOH-QO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1392.000 3.34874008E+01 3.27205318E-02-1.13917470E-05 1.78978364E-09-1.04705549E-13 -4.60293416E+04-1.44129407E+02-4.63316342E-01 1.18140575E-01-9.61320467E-05 4.09554566E-08-7.13465436E-12-3.47537698E+04 3.62028046E+01 OC7H14OOH-PO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1394.000 3.41658876E+01 3.20899159E-02-1.11621899E-05 1.75269953E-09-1.02495642E-13 -4.85525949E+04-1.48177080E+02-9.41322525E-01 1.22171301E-01-1.02238990E-04 4.45090859E-08-7.86260380E-12-3.70934069E+04 3.76338478E+01 PC7H14OOH-OO2 4/11/ 1 TMC 7H 15O 4 0G 300.000 5000.000 1394.000 3.41658876E+01 3.20899159E-02-1.11621899E-05 1.75269953E-09-1.02495642E-13 -4.85525949E+04-1.48177080E+02-9.41322525E-01 1.22171301E-01-1.02238990E-04 4.45090859E-08-7.86260380E-12-3.70934069E+04 3.76338478E+01 N-NC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1400.000 2.39600679E+01 3.17081086E-02-1.08164227E-05 1.67667029E-09-9.71835390E-14 -3.45659120E+04-1.04939163E+02-6.64556919E+00 1.05373799E-01-7.86000298E-05 3.00019846E-08-4.62526286E-12-2.42440028E+04 5.85115505E+01 N-OC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1403.000 2.43151704E+01 3.16174221E-02-1.08281769E-05 1.68270448E-09-9.76960406E-14 -3.68325348E+04-1.07182683E+02-6.88548949E+00 1.08579332E-01-8.40343676E-05 3.35223797E-08-5.41637633E-12-2.64728135E+04 5.88227619E+01 N-PC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1404.000 2.37190457E+01 3.25359249E-02-1.11428469E-05 1.73164426E-09-1.00539964E-13 -4.69289195E+04-1.05401457E+02-8.73257940E+00 1.12421736E-01-8.68300991E-05 3.44618642E-08-5.52956293E-12-3.61505130E+04 6.72956667E+01 N-QC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1397.000 2.40542367E+01 3.28073531E-02-1.12698568E-05 1.75528559E-09-1.02081564E-13 -4.72826253E+04-1.12376038E+02-9.12518292E+00 1.11346644E-01-8.19466828E-05 3.04982244E-08-4.55784793E-12-3.59660844E+04 6.52806220E+01 O-PC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1398.000 2.61457730E+01 3.00656365E-02-1.03865590E-05 1.62345095E-09-9.46351931E-14 -3.86506110E+04-1.17342428E+02-7.26493374E+00 1.17328751E-01-9.97836089E-05 4.38867593E-08-7.77582618E-12-2.79523946E+04 5.88532585E+01 O-QC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1403.000 2.43151704E+01 3.16174221E-02-1.08281769E-05 1.68270448E-09-9.76960406E-14 -3.68325348E+04-1.08279814E+02-6.88548949E+00 1.08579332E-01-8.40343676E-05 3.35223797E-08-5.41637633E-12-2.64728135E+04 5.77256306E+01 P-QC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.000 5000.000 1400.000 2.50907857E+01 3.06905327E-02-1.05420446E-05 1.64145811E-09-9.54300621E-14 -3.60399349E+04-1.10921777E+02-5.62328324E+00 1.07683674E-01-8.55683853E-05 3.52779432E-08-5.90642018E-12-2.59233241E+04 5.21280458E+01 NEOC7KETNN 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1392.000 3.04363674E+01 3.05740963E-02-1.06374577E-05 1.67066538E-09-9.77159817E-14 -5.85808672E+04-1.28687459E+02-6.52899263E-01 1.04858118E-01-7.92632421E-05 3.08611561E-08-4.91150022E-12-4.79410948E+04 3.77095134E+01 NEOC7KETNO 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1394.000 3.13169138E+01 2.98796239E-02-1.04102037E-05 1.63651310E-09-9.57820698E-14 -6.12367932E+04-1.34712826E+02-1.50295813E+00 1.10252951E-01-8.67924112E-05 3.50861794E-08-5.76350539E-12-5.02191376E+04 4.02216997E+01 NEOC7KETNP 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1394.000 3.13169138E+01 2.98796239E-02-1.04102037E-05 1.63651310E-09-9.57820698E-14 -6.12367932E+04-1.34712826E+02-1.50295813E+00 1.10252951E-01-8.67924112E-05 3.50861794E-08-5.76350539E-12-5.02191376E+04 4.02216997E+01 NEOC7KETNQ 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1392.000 3.04363674E+01 3.05740963E-02-1.06374577E-05 1.67066538E-09-9.77159817E-14 -5.85808672E+04-1.29376940E+02-6.52899263E-01 1.04858118E-01-7.92632421E-05 3.08611561E-08-4.91150022E-12-4.79410948E+04 3.70200318E+01 NEOC7KETON 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1389.000 3.00066367E+01 3.10290360E-02-1.08137527E-05 1.70015598E-09-9.95114830E-14 -6.23640317E+04-1.27368194E+02-7.58791231E-01 1.05656987E-01-8.17393925E-05

SUPPLEMENTAL MATERIAL 3.30983517E-08-5.52539152E-12-5.18729316E+04 3.70237395E+01 NEOC7KETOP 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1393.000 3.12785929E+01 3.00300393E-02-1.04882218E-05 1.65141609E-09-9.67601581E-14 -6.47357356E+04-1.35991140E+02-3.94519008E+00 1.20144570E-01-1.01041263E-04 4.38155686E-08-7.68280619E-12-5.32433395E+04 5.04791088E+01 NEOC7KETOQ 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1389.000 3.00066367E+01 3.10290360E-02-1.08137527E-05 1.70015598E-09-9.95114830E-14 -6.23640317E+04-1.28465326E+02-7.58791231E-01 1.05656987E-01-8.17393925E-05 3.30983517E-08-5.52539152E-12-5.18729316E+04 3.59266082E+01 NEOC7KETPN 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1389.000 2.98298481E+01 3.11235100E-02-1.08337221E-05 1.70193502E-09-9.95601835E-14 -6.27049883E+04-1.26435085E+02 1.76054692E-01 1.01875835E-01-7.67132395E-05 3.02332775E-08-4.92923263E-12-5.24755649E+04 3.24342096E+01 NEOC7KETPO 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1393.000 3.10581541E+01 3.01730386E-02-1.05274448E-05 1.65646084E-09-9.70094959E-14 -6.50681614E+04-1.34824216E+02-2.84703848E+00 1.15472318E-01-9.46242645E-05 4.00848127E-08-6.89706377E-12-5.38657225E+04 4.51702654E+01 NEOC7KETPQ 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1386.000 2.96622953E+01 3.13109805E-02-1.09077520E-05 1.71441381E-09-1.00322469E-13 -6.25947525E+04-1.25627477E+02 2.01966983E+00 9.61029959E-02-7.04073402E-05 2.73091890E-08-4.43801703E-12-5.28842448E+04 2.29780770E+01 NEOC7KETQN 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1390.000 3.01443416E+01 3.07430133E-02-1.06770034E-05 1.67479029E-09-9.78701861E-14 -5.88951869E+04-1.27430987E+02 4.93120773E-01 1.02416423E-01-7.83826197E-05 3.14041406E-08-5.18834716E-12-4.87718048E+04 3.10744181E+01 NEOC7KETQO 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1392.000 3.06826803E+01 3.03040962E-02-1.05291370E-05 1.65203675E-09-9.65572652E-14 -6.13669869E+04-1.31781471E+02 2.36801917E-01 1.05582764E-01-8.35235844E-05 3.45517069E-08-5.86070961E-12-5.11468769E+04 3.03635045E+01 NEOC7KETQP 4/11/ 1 THERMC 7H 14O 3 0G 300.000 5000.000 1394.000 3.13039066E+01 2.98616170E-02-1.03968083E-05 1.63361345E-09-9.55785901E-14 -6.12347357E+04-1.35428490E+02-2.15420388E+00 1.14230320E-01-9.36459269E-05 3.96435491E-08-6.80697553E-12-5.02151388E+04 4.20968444E+01 OC7H14OH 6/25/99 THERMC 7H 15O 1 0G 300.000 5000.000 1397.000 2.55348915E+01 3.09583295E-02-1.04138045E-05 1.59942150E-09-9.21207426E-14 -3.45726057E+04-1.07043495E+02-2.21939081E+00 9.68557297E-02-6.98444794E-05 2.57897333E-08-3.83913004E-12-2.51387156E+04 4.14730991E+01 PC7H14OH 6/26/99 THERMC 7H 15O 1 0G 300.000 5000.000 1388.000 2.57545373E+01 3.02484467E-02-1.00728739E-05 1.53768192E-09-8.82256412E-14 -3.25834547E+04-1.08073692E+02-1.73709867E+00 9.23353939E-02-6.17685161E-05 2.02322741E-08-2.53496760E-12-2.29785135E+04 4.00725304E+01 OO2C7H14OH 6/25/99 THERMC 7H 15O 3 0G 300.000 5000.000 1401.000 2.95980400E+01 3.29031991E-02-1.12314204E-05 1.74128566E-09-1.00925258E-13 -5.46609793E+04-1.25087278E+02-6.52879010E-01 1.09302940E-01-8.65393673E-05 3.59824774E-08-6.10465262E-12-4.47271131E+04 3.53461160E+01 PO2C7H14OH 6/26/99 THERMC 7H 15O 3 0G 300.000 5000.000 1400.000 2.86706009E+01 3.35327324E-02-1.14137700E-05 1.76613725E-09-1.02226516E-13 -5.21500864E+04-1.19443511E+02 4.68558572E-02 1.04569768E-01-8.01634840E-05 3.24976654E-08-5.41396284E-12-4.26110678E+04 3.28285675E+01 IC8H18 7/20/ 0 THERMC 8H 18 0 0G 300.000 5000.000 1396.000 2.71373590E+01 3.79004890E-02-1.29437358E-05 2.00760372E-09-1.16400580E-13 -4.07958177E+04-1.23277495E+02-4.20868893E+00 1.11440581E-01-7.91346582E-05 2.92406242E-08-4.43743191E-12-2.99446875E+04 4.49521701E+01 AC8H17 7/20/ 0 THERMC 8H 17 0 0G 300.000 5000.000 1396.000 2.67069782E+01 3.57660601E-02-1.22178704E-05 1.89536630E-09-1.09907843E-13 -1.57229692E+04-1.17001113E+02-3.41944741E+00 1.06803189E-01-7.65411563E-05 2.85341682E-08-4.36478649E-12-5.33514196E+03 4.45471727E+01 BC8H17 7/20/ 0 THERMC 8H 17 0 0G 300.000 5000.000 1393.000 2.64569179E+01 3.55420752E-02-1.20520984E-05 1.86089357E-09-1.07571894E-13 -1.70392791E+04-1.16245511E+02-3.09104262E+00 1.02318896E-01-6.84858873E-05 2.30183940E-08-3.07013080E-12-6.62829069E+03 4.31173932E+01 CC8H17 7/20/ 0 THERMC 8H 17 0 0G 300.000 5000.000 1390.000 2.51497158E+01 3.71096845E-02-1.26854483E-05 1.96873429E-09-1.14193894E-13 -1.82761790E+04-1.09056834E+02-9.73159697E-02 8.92653724E-02-5.12873814E-05 1.37640528E-08-1.27788396E-12-8.81147302E+03 2.89791898E+01 DC8H17 7/20/ 0 THERMC 8H 17 0 0G 300.000 5000.000 1396.000 2.67069782E+01 3.57660601E-02-1.22178704E-05 1.89536630E-09-1.09907843E-13 -1.61255862E+04-1.18098245E+02-3.41944741E+00 1.06803189E-01-7.65411563E-05 2.85341682E-08-4.36478649E-12-5.73775897E+03 4.34500414E+01 IC8H16 7/20/ 0 THERMC 8H 16 0 0G 300.000 5000.000 1394.000 2.56756746E+01 3.41801998E-02-1.16002952E-05 1.79195478E-09-1.03613002E-13 -2.62458324E+04-1.13928273E+02-2.79610447E+00 1.00836172E-01-7.12250651E-05 2.60659824E-08-3.90031814E-12-1.64002496E+04 3.88854068E+01 JC8H16 7/20/ 0 THERMC 8H 16 0 0G 300.000 5000.000 1397.000 2.60101527E+01 3.39703243E-02-1.15422451E-05 1.78422814E-09-1.03212200E-13 -2.65174535E+04-1.15359195E+02-3.31862122E+00 1.04315305E-01-7.64763013E-05 2.92169219E-08-4.56913862E-12-1.65448250E+04 4.14548253E+01 IC8H14 7/27/95 THERMC 8H 14 0 0G 300.000 5000.000 1393.00 2.31122057E+01 3.20068167E-02-1.09146225E-05 1.69105344E-09-9.79689082E-14 -9.88635588E+03-9.50421330E+01-7.25937793E-01 8.75003879E-02-6.09147603E-05 2.25181921E-08-3.48098017E-12-1.52662798E+03 3.31551078E+01 IC8H15 7/20/ 0 THERMC 8H 15 0 0G 300.000 5000.000 1397.000 2.60931337E+01 3.17629740E-02-1.07800358E-05 1.66534077E-09-9.62985504E-14 -8.00312155E+03-1.15651475E+02-3.74987946E+00 1.05476476E-01-8.12781961E-05 3.26271703E-08-5.33783606E-12 1.92249518E+03 4.31416185E+01 AC8H17O2 7/20/ 0 THERMC 8H 17O 2 0G 300.000 5000.000 1393.000 3.02815958E+01 3.78729072E-02-1.30468383E-05 2.03524213E-09-1.18471267E-13 -3.48032462E+04-1.31647036E+02-1.78614072E+00 1.14754903E-01-8.50604719E-05 3.34040935E-08-5.45173228E-12-2.37742056E+04 4.00275514E+01 BC8H17O2 7/20/ 0 THERMC 8H 17O 2 0G 300.000 5000.000 1394.000 3.09351615E+01 3.74102564E-02-1.29070970E-05 2.01544850E-09-1.17398911E-13 -3.77457753E+04-1.36730800E+02-3.07002356E+00 1.22640438E-01-9.72202764E-05 4.09127625E-08-7.09102547E-12-2.64014308E+04 4.40345691E+01 CC8H17O2 7/20/ 0 THERMC 8H 17O 2 0G 300.000 5000.000 1394.000 3.09721695E+01 3.73366082E-02-1.28724179E-05 2.00907464E-09-1.16989072E-13 -3.79648855E+04-1.38456446E+02-1.80143766E+00 1.18030511E-01-9.10630966E-05 3.73480361E-08-6.33999307E-12-2.68892049E+04 3.62716425E+01 DC8H17O2 7/20/ 0 THERMC 8H 17O 2 0G 300.000 5000.000 1393.000 3.02815958E+01 3.78729072E-02-1.30468383E-05 2.03524213E-09-1.18471267E-13 -3.48032462E+04-1.32744167E+02-1.78614072E+00 1.14754903E-01-8.50604719E-05 3.34040935E-08-5.45173228E-12-2.37742056E+04 3.89304200E+01 AC8H17O2H 7/20/ 0 THERMC 8H 18O 2 0G 300.000 5000.000 1394.000 3.26877471E+01 3.81543348E-02-1.31904018E-05 2.06264164E-09-1.20273296E-13 -5.27061157E+04-1.45649372E+02-2.60590167E+00 1.22975246E-01-9.23792422E-05 3.62352036E-08-5.84914182E-12-4.06451692E+04 4.31271543E+01 BC8H17O2H 7/20/ 0 THERMC 8H 18O 2 0G 300.000 5000.000 1395.000 3.33795839E+01 3.76075190E-02-1.30106507E-05 2.03549569E-09-1.18729187E-13 -5.56606229E+04-1.50940682E+02-3.94136639E+00 1.31008751E-01-1.04675464E-04 4.37713359E-08-7.48395636E-12-4.32624432E+04 4.73897591E+01 CC8H17O2H 7/20/ 0 THERMC 8H 18O 2 0G 300.000 5000.000 1394.000 3.34492663E+01 3.74760859E-02-1.29495289E-05 2.02432718E-09-1.18013520E-13 -5.58859437E+04-1.52839441E+02-2.84505394E+00 1.27200028E-01-9.97024841E-05 4.09114072E-08-6.88149851E-12-4.37253252E+04 4.04161993E+01 DC8H17O2H 7/20/ 0 THERMC 8H 18O 2 0G 300.000 5000.000 1394.000 3.26877471E+01 3.81543348E-02-1.31904018E-05 2.06264164E-09-1.20273296E-13 -5.27061157E+04-1.46746504E+02-2.60590167E+00 1.22975246E-01-9.23792422E-05 3.62352036E-08-5.84914182E-12-4.06451692E+04 4.20300230E+01 AC8H17O 7/20/ 0 THERMC 8H 17O 1 0G 300.000 5000.000 1398.000 2.88343933E+01 3.63403146E-02-1.23814095E-05 1.91748102E-09-1.11063219E-13 -3.29777132E+04-1.26786653E+02-3.80491312E+00 1.15184609E-01-8.57614185E-05 3.31877927E-08-5.24475393E-12-2.19418053E+04 4.75187920E+01 BC8H17O 7/20/ 0 THERMC 8H 17O 1 0G 300.000 5000.000 1400.000 2.91996555E+01 3.62435016E-02-1.23916984E-05 1.92336095E-09-1.11569960E-13 -3.52447658E+04-1.30181834E+02-3.96685353E+00 1.18150102E-01-9.09087627E-05 3.65594900E-08-6.00779878E-12-2.41854516E+04 4.63436117E+01 CC8H17O 7/20/ 0 THERMC 8H 17O 1 0G 300.000 5000.000 1398.000 2.94459429E+01 3.59416431E-02-1.22687364E-05 1.90233593E-09-1.10275675E-13 -3.65164717E+04-1.32704700E+02-3.83187637E+00 1.18581554E-01-9.20889748E-05 3.74315233E-08-6.21723419E-12-2.54590182E+04 4.42631132E+01 DC8H17O 7/20/ 0 THERMC 8H 17O 1 0G 300.000 5000.000 1398.000 2.88343933E+01 3.63403146E-02-1.23814095E-05 1.91748102E-09-1.11063219E-13 -3.29777132E+04-1.27194302E+02-3.80491312E+00 1.15184609E-01-8.57614185E-05 3.31877927E-08-5.24475393E-12-2.19418053E+04 4.71111423E+01 AC8H16OOH-A 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1394.000 3.22733666E+01 3.60035914E-02-1.24584643E-05 1.94942256E-09-1.13722419E-13 -2.80443391E+04-1.40571052E+02-1.84900727E+00 1.18470376E-01-8.99609127E-05 3.56283674E-08-5.79743151E-12-1.64331259E+04 4.17717295E+01 AC8H16OOH-B 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1390.000 3.25510943E+01 3.47986732E-02-1.18444590E-05 1.83415878E-09-1.06263255E-13 -2.95119890E+04-1.41568260E+02-2.06912730E+00 1.16142139E-01-8.44026727E-05 3.10689399E-08-4.59880303E-12-1.76383455E+04 4.40292848E+01 AC8H16OOH-C 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1389.000 3.07262781E+01 3.73278652E-02-1.29171084E-05 2.02116922E-09-1.17905143E-13 -2.98447203E+04-1.31584073E+02 1.37822561E+00 1.01363546E-01-6.53502993E-05 2.12486815E-08-2.79452649E-12-1.91404617E+04 2.77383760E+01 AC8H16OOH-D 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1394.000 3.22733666E+01 3.60035914E-02-1.24584643E-05 1.94942256E-09-1.13722419E-13 -2.80443391E+04-1.40571052E+02-1.84900727E+00 1.18470376E-01-8.99609127E-05 3.56283674E-08-5.79743151E-12-1.64331259E+04 4.17717295E+01 BC8H16OOH-C 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1390.000 3.17641522E+01 3.64992527E-02-1.26438443E-05 1.97989245E-09-1.15559672E-13 -3.25683115E+04-1.38935214E+02 4.50202986E-01 1.07139372E-01-7.31797889E-05 2.55227551E-08-3.63601201E-12-2.14096422E+04 3.01864197E+01 BC8H16OOH-A 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1395.000 3.29649795E+01 3.54521526E-02-1.22760697E-05 1.92175602E-09-1.12143669E-13 -3.05966248E+04-1.44760131E+02-3.22207871E+00 1.26635635E-01-1.02426709E-04 4.32557714E-08-7.44990097E-12-1.86411004E+04 4.73182493E+01 BC8H16OOH-D 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1395.000 3.29649795E+01 3.54521526E-02-1.22760697E-05 1.92175602E-09-1.12143669E-13 -3.05966248E+04-1.45857263E+02-3.22207871E+00 1.26635635E-01-1.02426709E-04 4.32557714E-08-7.44990097E-12-1.86411004E+04 4.62211179E+01 CC8H16OOH-D 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1394.000 3.30252762E+01 3.53441853E-02-1.22263715E-05 1.91270947E-09-1.11565017E-13 -3.08189254E+04-1.47704169E+02-2.05751270E+00 1.22565802E-01-9.71043924E-05 4.02046214E-08-6.81002951E-12-1.91154529E+04 3.89226152E+01 CC8H16OOH-B 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1391.000 3.31608087E+01 3.44400431E-02-1.17524342E-05 1.82282432E-09-1.05717658E-13 -3.22520616E+04-1.47957290E+02-2.10615358E+00 1.19486353E-01-9.04973544E-05 3.51127559E-08-5.51947072E-12-2.03466672E+04 4.03799994E+01 CC8H16OOH-A 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1394.000 3.30252762E+01 3.53441853E-02-1.22263715E-05 1.91270947E-09-1.11565017E-13 -3.08189254E+04-1.46607038E+02-2.05751270E+00 1.22565802E-01-9.71043924E-05 4.02046214E-08-6.81002951E-12-1.91154529E+04 4.00197465E+01 DC8H16OOH-C 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1389.000 3.07262781E+01 3.73278652E-02-1.29171084E-05 2.02116922E-09-1.17905143E-13 -2.94421033E+04-1.31986690E+02 1.37822561E+00 1.01363546E-01-6.53502993E-05 2.12486815E-08-2.79452649E-12-1.87378447E+04 2.73357589E+01 DC8H16OOH-D 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1394.000 3.22733666E+01 3.60035914E-02-1.24584643E-05 1.94942256E-09-1.13722419E-13 -2.76417221E+04-1.41668184E+02-1.84900727E+00 1.18470376E-01-8.99609127E-05 3.56283674E-08-5.79743151E-12-1.60305089E+04 4.06745981E+01 DC8H16OOH-B 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1390.000 3.25510943E+01 3.47986732E-02-1.18444590E-05 1.83415878E-09-1.06263255E-13 -2.91093720E+04-1.42665392E+02-2.06912730E+00 1.16142139E-01-8.44026727E-05 3.10689399E-08-4.59880303E-12-1.72357285E+04 4.29321534E+01 DC8H16OOH-A 7/20/ 0 THRMC 8H 17O 2 0G 300.000 5000.000 1394.000 3.22733666E+01 3.60035914E-02-1.24584643E-05 1.94942256E-09-1.13722419E-13 -2.76417221E+04-1.40571052E+02-1.84900727E+00 1.18470376E-01-8.99609127E-05 3.56283674E-08-5.79743151E-12-1.60305089E+04 4.17717295E+01 IC8ETERAA 8/11/98 THERMC 8H 16O 1 0G 300.000 5000.000 1402.000 2.76609620E+01 3.54374921E-02-1.20270463E-05 1.85781053E-09-1.07416032E-13 -3.72560156E+04-1.22979949E+02-5.82996279E+00 1.17708720E-01-8.97428356E-05 3.53445608E-08-5.64033758E-12-2.61196792E+04 5.53022894E+01 IC8ETERAB 8/11/98 THERMC 8H 16O 1 0G 300.000 5000.000 1403.000 2.76798014E+01 3.59323006E-02-1.23072657E-05 1.91269208E-09-1.11054254E-13 -4.05912134E+04-1.25295695E+02-7.80049041E+00 1.23580877E-01-9.58621529E-05 3.83545262E-08-6.21761428E-12-2.88197649E+04 6.34400053E+01 IC8ETERAC 8/11/98 THERMC 8H 16O 1 0G 300.000 5000.000 1401.000 2.74247596E+01 3.63922171E-02-1.24291523E-05 1.92815283E-09-1.11818455E-13 -5.27913842E+04-1.27246044E+02-9.59187284E+00 1.28236477E-01-1.00326484E-04 4.03884956E-08-6.57333725E-12-4.05657072E+04 6.94955343E+01 IC8ETERAD 8/11/98 THERMC 8H 16O 1 0G 300.000 5000.000 1397.000 2.74697925E+01 3.70247038E-02-1.27040472E-05 1.97715113E-09-1.14923606E-13 -5.22136867E+04-1.30074996E+02-1.00898551E+01 1.26532107E-01-9.39774615E-05 3.53987472E-08-5.36309552E-12-3.94622646E+04 7.08239447E+01 IC8ETERBC 8/11/98 THERMC 8H 16O 1 0G 300.000 5000.000 1401.000 2.91314751E+01 3.43774014E-02-1.17923055E-05 1.83443368E-09-1.06580097E-13 -4.33290883E+04-1.34137270E+02-6.52843292E+00 1.25863708E-01-1.03309536E-04 4.39589623E-08-7.56138322E-12-3.17916901E+04 5.44269645E+01 IC8ETERBD 8/11/98 THERMC 8H 16O 1 0G 300.000 5000.000 1403.000 2.76798014E+01 3.59323006E-02-1.23072657E-05 1.91269208E-09-1.11054254E-13 -4.05912134E+04-1.26392826E+02-7.80049041E+00 1.23580877E-01-9.58621529E-05 3.83545262E-08-6.21761428E-12-2.88197649E+04 6.23428739E+01

SUPPLEMENTAL MATERIALIC8ETERCD 8/11/98 THERMC 8H 16O 1 0G 300.000 5000.000 1400.000 2.86413961E+01 3.45920154E-02-1.18240709E-05 1.83517355E-09-1.06458193E-13 -4.05813126E+04-1.30367926E+02-5.78684465E+00 1.20680536E-01-9.52827789E-05 3.89816643E-08-6.47007880E-12-2.92421013E+04 5.24386522E+01 IC8ETERDD 8/11/98 THERMC 8H 16O 1 0G 300.000 5000.000 1400.000 2.73556138E+01 3.59638195E-02-1.22682161E-05 1.90171108E-09-1.10226910E-13 -3.79302663E+04-1.24315287E+02-7.58698592E+00 1.20473410E-01-9.05271586E-05 3.48575822E-08-5.42424035E-12-2.61839898E+04 6.21571345E+01 AC8H16OOH-AO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1391.000 3.60794609E+01 3.77494166E-02-1.31295433E-05 2.06141539E-09-1.20538637E-13 -4.68142419E+04-1.56529322E+02-5.13569052E-01 1.27497436E-01-9.96783958E-05 4.09976757E-08-6.95279847E-12-3.44189277E+04 3.86776062E+01 AC8H16OOH-BO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1393.000 3.68372436E+01 3.70741924E-02-1.28898032E-05 2.02329750E-09-1.18291456E-13 -4.93845688E+04-1.61072392E+02-1.29316549E+00 1.32762515E-01-1.07403628E-04 4.54644888E-08-7.86976880E-12-3.67109267E+04 4.15232002E+01 AC8H16OOH-CO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1392.000 3.68128611E+01 3.71302833E-02-1.29166292E-05 2.02823475E-09-1.18608345E-13 -4.99876829E+04-1.62468861E+02-6.84583036E-01 1.31427913E-01-1.06588387E-04 4.54471879E-08-7.94130791E-12-3.75095420E+04 3.67518862E+01 AC8H16OOH-DO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1391.000 3.60794609E+01 3.77494166E-02-1.31295433E-05 2.06141539E-09-1.20538637E-13 -4.68142419E+04-1.56529322E+02-5.13569052E-01 1.27497436E-01-9.96783958E-05 4.09976757E-08-6.95279847E-12-3.44189277E+04 3.86776062E+01 BC8H16OOH-CO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1393.000 3.75785800E+01 3.64513715E-02-1.26763216E-05 1.99010404E-09-1.16363556E-13 -5.25653329E+04-1.68169424E+02-1.49381512E+00 1.36761538E-01-1.14348621E-04 4.99098535E-08-8.85373352E-12-3.97954365E+04 3.86453145E+01 BC8H16OOH-AO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1393.000 3.68372436E+01 3.70741924E-02-1.28898032E-05 2.02329750E-09-1.18291456E-13 -4.93845688E+04-1.61072392E+02-1.29316549E+00 1.32762515E-01-1.07403628E-04 4.54644888E-08-7.86976880E-12-3.67109267E+04 4.15232002E+01 BC8H16OOH-DO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1393.000 3.68372436E+01 3.70741924E-02-1.28898032E-05 2.02329750E-09-1.18291456E-13 -4.93845688E+04-1.62169524E+02-1.29316549E+00 1.32762515E-01-1.07403628E-04 4.54644888E-08-7.86976880E-12-3.67109267E+04 4.04260689E+01 CC8H16OOH-DO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1392.000 3.68128611E+01 3.71302833E-02-1.29166292E-05 2.02823475E-09-1.18608345E-13 -4.99876829E+04-1.62876511E+02-6.84583036E-01 1.31427913E-01-1.06588387E-04 4.54471879E-08-7.94130791E-12-3.75095420E+04 3.63442364E+01 CC8H16OOH-BO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1393.000 3.75785800E+01 3.64513715E-02-1.26763216E-05 1.99010404E-09-1.16363556E-13 -5.25653329E+04-1.68169424E+02-1.49381512E+00 1.36761538E-01-1.14348621E-04 4.99098535E-08-8.85373352E-12-3.97954365E+04 3.86453145E+01 CC8H16OOH-AO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1392.000 3.68128611E+01 3.71302833E-02-1.29166292E-05 2.02823475E-09-1.18608345E-13 -4.99876829E+04-1.62468861E+02-6.84583036E-01 1.31427913E-01-1.06588387E-04 4.54471879E-08-7.94130791E-12-3.75095420E+04 3.67518862E+01 DC8H16OOH-CO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1392.000 3.68128611E+01 3.71302833E-02-1.29166292E-05 2.02823475E-09-1.18608345E-13 -4.99876829E+04-1.62876511E+02-6.84583036E-01 1.31427913E-01-1.06588387E-04 4.54471879E-08-7.94130791E-12-3.75095420E+04 3.63442364E+01 DC8H16OOH-DO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1391.000 3.60794609E+01 3.77494166E-02-1.31295433E-05 2.06141539E-09-1.20538637E-13 -4.68142419E+04-1.56936971E+02-5.13569052E-01 1.27497436E-01-9.96783958E-05 4.09976757E-08-6.95279847E-12-3.44189277E+04 3.82699565E+01 DC8H16OOH-BO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1393.000 3.68372436E+01 3.70741924E-02-1.28898032E-05 2.02329750E-09-1.18291456E-13 -4.93845688E+04-1.62169524E+02-1.29316549E+00 1.32762515E-01-1.07403628E-04 4.54644888E-08-7.86976880E-12-3.67109267E+04 4.04260689E+01 DC8H16OOH-AO2 7/20/ 0 TMC 8H 17O 4 0G 300.000 5000.000 1391.000 3.60794609E+01 3.77494166E-02-1.31295433E-05 2.06141539E-09-1.20538637E-13 -4.68142419E+04-1.56529322E+02-5.13569052E-01 1.27497436E-01-9.96783958E-05 4.09976757E-08-6.95279847E-12-3.44189277E+04 3.86776062E+01 IC8KETAA 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1393.000 3.37853567E+01 3.48956991E-02-1.21173465E-05 1.90061451E-09-1.11065193E-13 -6.30868047E+04-1.46707041E+02-1.64582765E+00 1.20217054E-01-9.16818443E-05 3.60846240E-08-5.80275885E-12-5.10311149E+04 4.26871803E+01 IC8KETAB 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1394.000 3.47134000E+01 3.41945225E-02-1.18952719E-05 1.86805496E-09-1.09255878E-13 -6.57745821E+04-1.53035860E+02-2.37786754E+00 1.24999274E-01-9.81048338E-05 3.95573283E-08-6.48097453E-12-5.33254847E+04 4.46667297E+01 IC8KETAC 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1393.000 3.45066719E+01 3.43206253E-02-1.19269336E-05 1.87169276E-09-1.09412647E-13 -6.62608600E+04-1.53281052E+02-1.79570223E+00 1.24085304E-01-9.85298875E-05 4.05270269E-08-6.79640096E-12-5.41257970E+04 3.99674075E+01 IC8KETAD 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1393.000 3.37853567E+01 3.48956991E-02-1.21173465E-05 1.90061451E-09-1.11065193E-13 -6.30868047E+04-1.46707041E+02-1.64582765E+00 1.20217054E-01-9.16818443E-05 3.60846240E-08-5.80275885E-12-5.10311149E+04 4.26871803E+01 IC8KETBA 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1393.000 3.36880261E+01 3.51530815E-02-1.22449632E-05 1.92459229E-09-1.12625930E-13 -6.57501190E+04-1.47550024E+02-3.65722567E+00 1.27159677E-01-1.00732622E-04 4.13367943E-08-6.92386575E-12-5.32214668E+04 5.13886594E+01 IC8KETBC 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1394.000 3.50696425E+01 3.40096645E-02-1.18587999E-05 1.86530452E-09-1.09217949E-13 -6.88169429E+04-1.58744646E+02-3.14440571E+00 1.26997795E-01-9.92838921E-05 3.96018910E-08-6.39794193E-12-5.59585699E+04 4.51031280E+01 IC8KETBD 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1393.000 3.36880261E+01 3.51530815E-02-1.22449632E-05 1.92459229E-09-1.12625930E-13 -6.57501190E+04-1.47957674E+02-3.65722567E+00 1.27159677E-01-1.00732622E-04 4.13367943E-08-6.92386575E-12-5.32214668E+04 5.09810097E+01 IC8KETDA 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1394.000 3.37567781E+01 3.48947879E-02-1.21110491E-05 1.89897571E-09-1.10942203E-13 -6.34053810E+04-1.46504034E+02-1.90202597E+00 1.21572025E-01-9.39028715E-05 3.75062860E-08-6.11797234E-12-5.13502815E+04 4.38246582E+01 IC8KETDB 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1395.000 3.47542216E+01 3.41135713E-02-1.18569613E-05 1.86098174E-09-1.08799437E-13 -6.61213882E+04-1.53639919E+02-2.64616572E+00 1.26354081E-01-1.00157081E-04 4.07840374E-08-6.73818789E-12-5.36421698E+04 4.54596528E+01 IC8KETDC 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1395.000 3.51792772E+01 3.37381618E-02-1.17250740E-05 1.84020986E-09-1.07584482E-13 -6.64895512E+04-1.57936324E+02-1.58826532E+00 1.22408280E-01-9.39524343E-05 3.67003701E-08-5.79705545E-12-5.40609009E+04 3.84395166E+01 IC8KETDD 7/20/ 0 THERMC 8H 16O 3 0G 300.000 5000.000 1394.000 3.37567781E+01 3.48947879E-02-1.21110491E-05 1.89897571E-09-1.10942203E-13 -6.34053810E+04-1.47601165E+02-1.90202597E+00 1.21572025E-01-9.39028715E-05 3.75062860E-08-6.11797234E-12-5.13502815E+04 4.27275269E+01 CC8H16OH-B 3/ 3/98 THERMC 8H 17O 1 0G 300.000 5000.000 1391.000 2.99669394E+01 3.36833754E-02-1.12165522E-05 1.71225938E-09-9.82418884E-14 -4.15420661E+04-1.32271564E+02-2.87689827E+00 1.11482896E-01-8.08081607E-05 2.96268389E-08-4.33297023E-12-3.04051599E+04 4.34716318E+01 BC8H16OH-C 3/ 3/98 THERMC 8H 17O 1 0G 300.000 5000.000 1396.000 2.73071221E+01 3.73062264E-02-1.27306762E-05 1.97331176E-09-1.14355872E-13 -4.03341181E+04-1.16371644E+02-2.95390133E-03 9.84557966E-02-6.43904921E-05 2.15914295E-08-2.94525109E-12-3.05712666E+04 3.12607389E+01 CC8H16OH-BO2 3/ 3/98 TRMC 8H 17O 3 0G 300.000 5000.000 1400.000 3.27331948E+01 3.72943966E-02-1.27101629E-05 1.96840530E-09-1.14001456E-13 -5.98974914E+04-1.41668291E+02-1.01489887E+00 1.23437073E-01-9.88861679E-05 4.18262980E-08-7.22470368E-12-4.88785713E+04 3.70357488E+01 CC8H16O-BO2H 3/ 3/98 TRMC 8H 17O 3 0G 300.000 5000.000 1400.000 3.51419039E+01 3.55476965E-02-1.21767888E-05 1.89258894E-09-1.09895460E-13 -5.28900671E+04-1.56477808E+02-1.93158929E+00 1.30258417E-01-1.06389100E-04 4.49887457E-08-7.69050188E-12-4.08663072E+04 3.96858637E+01 CC8H16OH-D 3/ 3/98 THERMC 8H 17O 1 0G 300.000 5000.000 1399.000 2.90885755E+01 3.57051012E-02-1.21609712E-05 1.88273709E-09-1.09020453E-13 -3.98058038E+04-1.27825383E+02-3.14476709E+00 1.16182932E-01-9.04611316E-05 3.70273820E-08-6.20095829E-12-2.91289874E+04 4.34505404E+01 DC8H16OH-C 3/ 3/98 THERMC 8H 17O 1 0G 300.000 5000.000 1392.000 2.69565769E+01 3.74226654E-02-1.27342704E-05 1.97034001E-09-1.14048459E-13 -3.80802679E+04-1.12796386E+02 2.14519194E-01 9.52857454E-02-5.89435011E-05 1.80555637E-08-2.15185876E-12-2.83374227E+04 3.24504093E+01 BC8H16OH-CO2 3/ 3/98 TRMC 8H 17O 3 0G 300.000 5000.000 1401.000 3.25714033E+01 3.73996925E-02-1.27376834E-05 1.97165020E-09-1.14143661E-13 -5.91489607E+04-1.40868935E+02-1.15175027E+00 1.25122316E-01-1.02472582E-04 4.44190635E-08-7.84138960E-12-4.82818942E+04 3.71538044E+01 BC8H16O-CO2H 3/ 3/98 TRMC 8H 17O 3 0G 300.000 5000.000 1401.000 3.49565016E+01 3.56849135E-02-1.22178739E-05 1.89821145E-09-1.10186458E-13 -5.21350428E+04-1.55548183E+02-1.97309894E+00 1.31501867E-01-1.09342416E-04 4.72136087E-08-8.23107667E-12-4.02833222E+04 3.93673819E+01 CC8H16OH-DO2 3/ 3/98 TRMC 8H 17O 3 0G 300.000 5000.000 1398.000 3.23695985E+01 3.77131763E-02-1.28789334E-05 1.99728040E-09-1.15785161E-13 -5.80394975E+04-1.38326984E+02-1.46705330E-01 1.18354266E-01-9.10679891E-05 3.71021460E-08-6.22158062E-12-4.71750407E+04 3.47110249E+01 CC8H16O-DO2H 3/ 3/98 TRMC 8H 17O 3 0G 300.000 5000.000 1398.000 3.47789129E+01 3.59653495E-02-1.23450444E-05 1.92137125E-09-1.11673282E-13 -5.10322495E+04-1.53139778E+02-1.06380331E+00 1.25177078E-01-9.85722976E-05 4.02647881E-08-6.68729477E-12-3.91627086E+04 3.73630837E+01 DC8H16OH-CO2 3/ 3/98 TRMC 8H 17O 3 0G 300.000 5000.000 1400.000 3.20523506E+01 3.76750697E-02-1.27977739E-05 1.97752875E-09-1.14348441E-13 -5.67968277E+04-1.36950337E+02-4.59393179E-01 1.20088443E-01-9.45910698E-05 3.95062801E-08-6.76037390E-12-4.61257195E+04 3.54073839E+01 DC8H16O-CO2H 3/ 3/98 TRMC 8H 17O 3 0G 300.000 5000.000 1401.000 3.44608014E+01 3.59290140E-02-1.22647176E-05 1.90177205E-09-1.10246328E-13 -4.97893865E+04-1.51758563E+02-1.37464241E+00 1.26903569E-01-1.02085221E-04 4.26637978E-08-7.22519508E-12-3.81136770E+04 3.80507929E+01 IC6H13CHO-B 3/4/96 THERMC 7H 14O 1 0G 300.000 5000.000 1395.000 2.46801791E+01 3.05595044E-02-1.04858321E-05 1.63162811E-09-9.48178090E-14 -4.65754535E+04-1.04698688E+02-2.06186556E+00 9.26532225E-02-6.54344358E-05 2.37101741E-08-3.49699025E-12-3.72734650E+04 3.90181366E+01 IC6H13CO-B 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1395.000 2.43249509E+01 2.83881621E-02-9.75334056E-06 1.51900476E-09-8.83292303E-14 -2.76437026E+04-1.01160179E+02-1.36348633E+00 8.81636722E-02-6.26953163E-05 2.27706971E-08-3.35325060E-12-1.87338419E+04 3.68275476E+01 AC6H12CHO-B 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1395.000 2.42514472E+01 2.84438313E-02-9.77077660E-06 1.52152073E-09-8.84667232E-14 -2.15083432E+04-9.95417905E+01-1.27560491E+00 8.80197598E-02-6.28266939E-05 2.29973864E-08-3.42459126E-12-1.26633185E+04 3.75312437E+01 CC6H12CHO-B 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1382.000 2.48743929E+01 2.69185384E-02-9.05081747E-06 1.39097340E-09-8.01916208E-14 -2.31625239E+04-1.02607483E+02-1.11832797E+00 8.38509118E-02-5.40513965E-05 1.62768539E-08-1.73372622E-12-1.39236337E+04 3.80574211E+01 DC6H12CHO-B 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1382.000 2.48743929E+01 2.69185384E-02-9.05081747E-06 1.39097340E-09-8.01916208E-14 -2.31625239E+04-1.02607483E+02-1.11832797E+00 8.38509118E-02-5.40513965E-05 1.62768539E-08-1.73372622E-12-1.39236337E+04 3.80574211E+01 EC6H12CHO-B 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1395.000 2.42514472E+01 2.84438313E-02-9.77077660E-06 1.52152073E-09-8.84667232E-14 -2.15083432E+04-9.95417905E+01-1.27560491E+00 8.80197598E-02-6.28266939E-05 2.29973864E-08-3.42459126E-12-1.26633185E+04 3.75312437E+01 IC6H13CHO-D 3/4/96 THERMC 7H 14O 1 0G 300.000 5000.000 1393.000 2.33841323E+01 3.17477398E-02-1.09128332E-05 1.69988637E-09-9.88517244E-14 -4.61923369E+04-9.59715359E+01-1.46105990E+00 8.75877547E-02-5.84960853E-05 2.00522034E-08-2.81158003E-12-3.73170744E+04 3.82873196E+01 IC6H13CO-D 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1393.000 2.29686550E+01 2.96146721E-02-1.01906719E-05 1.58857460E-09-9.24272780E-14 -2.72309483E+04-9.20709572E+01-6.86869182E-01 8.27820874E-02-5.54303759E-05 1.89761388E-08-2.64754131E-12-1.87886291E+04 3.57456884E+01 AC6H12CHO-D 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1393.000 2.29422764E+01 2.96497030E-02-1.02052918E-05 1.59110021E-09-9.25835423E-14 -2.11195896E+04-9.07378844E+01-6.20686634E-01 8.27433784E-02-5.56197091E-05 1.91977760E-08-2.71224209E-12-1.27157934E+04 3.65442569E+01 BC6H12CHO-D 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1384.000 2.14175606E+01 3.09495570E-02-1.06544077E-05 1.66125209E-09-9.66692969E-14 -2.30307400E+04-8.18874481E+01 2.54734237E+00 6.58788027E-02-3.13192641E-05 4.98367270E-09 2.58513070E-13-1.55144710E+04 2.27833491E+01 CC6H12CHO-D 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1377.000 2.36496570E+01 2.78646436E-02-9.35641593E-06 1.43651362E-09-8.27557401E-14 -2.27807364E+04-9.42101917E+01-5.82108737E-01 7.90543012E-02-4.75520142E-05 1.28281319E-08-1.07735977E-12-1.39564582E+04 3.76321513E+01 DC6H12CHO-D 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1389.000 2.32412991E+01 2.94013946E-02-1.01210871E-05 1.57812201E-09-9.18349976E-14 -2.67973204E+04-9.47460288E+01 7.18129174E-01 7.97814021E-02-5.30878535E-05 1.83105964E-08-2.61673962E-12-1.86909366E+04 2.71126725E+01 EC6H12CHO-D 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1393.000 2.29422764E+01 2.96497030E-02-1.02052918E-05 1.59110021E-09-9.25835423E-14 -2.11195896E+04-9.07378844E+01-6.20686634E-01 8.27433784E-02-5.56197091E-05 1.91977760E-08-2.71224209E-12-1.27157934E+04 3.65442569E+01 IC3H7COC3H7-I 3/4/96 TRMC 7H 14O 1 0G 300.000 5000.000 1392.000 2.33276646E+01 3.20863768E-02-1.10937810E-05 1.73479615E-09-1.01153632E-13 -5.00583595E+04-9.78174337E+01-3.77585100E+00 9.59989717E-02-6.97829151E-05 2.67759950E-08-4.27869423E-12-4.06227575E+04 4.76721021E+01 IC3H7COC3H6-I 3/4/96 TRMC 7H 13O 1 0G 300.000 5000.000 1392.000

SUPPLEMENTAL MATERIAL 2.29197125E+01 2.99259872E-02-1.03576174E-05 1.62082600E-09-9.45553922E-14 -2.49969691E+04-9.20831444E+01-3.08347340E+00 9.17572601E-02-6.77286761E-05 2.63790309E-08-4.27043261E-12-1.59977356E+04 4.73147359E+01 IC3H7COC3H6-T 3/4/96 TRMC 7H 13O 1 0G 300.000 5000.000 1390.000 2.30231691E+01 2.97793536E-02-1.02936733E-05 1.60942385E-09-9.38330580E-14 -3.05668554E+04-9.55768500E+01-6.60479235E-01 8.38430170E-02-5.79348944E-05 2.10237414E-08-3.18960231E-12-2.21318078E+04 3.22077356E+01 TC4H9COC2H5 3/4/96 THERMC 7H 14O 1 0G 300.000 5000.000 1392.000 2.43139145E+01 3.09986190E-02-1.06645066E-05 1.66226165E-09-9.67097097E-14 -5.03935537E+04-1.03085400E+02-2.34985894E+00 9.42069281E-02-6.88140380E-05 2.64112105E-08-4.19878070E-12-4.11774516E+04 3.98705615E+01 TC4H8COC2H5 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1392.000 2.38716283E+01 2.88997528E-02-9.95637975E-06 1.55335028E-09-9.04327880E-14 -2.53210694E+04-9.78558263E+01-1.56581379E+00 8.96020058E-02-6.62908845E-05 2.57733725E-08-4.14672273E-12-1.65673043E+04 3.83858873E+01 TC4H9COC2H4S 3/4/96 THRMC 7H 13O 1 0G 300.000 5000.000 1394.000 2.44311775E+01 2.85604759E-02-9.86991067E-06 1.54307557E-09-8.99661771E-14 -3.02612030E+04-1.04211609E+02-2.86500441E+00 9.45587402E-02-7.18382514E-05 2.84095909E-08-4.60883988E-12-2.09863386E+04 4.16255786E+01 TC4H9COC2H4P 3/4/96 THRMC 7H 13O 1 0G 300.000 5000.000 1392.000 2.38716283E+01 2.88997528E-02-9.95637975E-06 1.55335028E-09-9.04327880E-14 -2.53210694E+04-9.78558263E+01-1.56581379E+00 8.96020058E-02-6.62908845E-05 2.57733725E-08-4.14672273E-12-1.65673043E+04 3.83858873E+01 NEOC5H11COCH3 3/4/96 TRMC 7H 14O 1 0G 300.000 5000.000 1390.000 2.43486596E+01 3.06917909E-02-1.05004224E-05 1.63082524E-09-9.46511062E-14 -5.07352310E+04-1.03291547E+02-1.46390909E+00 9.05685950E-02-6.37865551E-05 2.33501459E-08-3.52135242E-12-4.17111247E+04 3.55185522E+01 NEOC5H10COCH3 3/4/96 TRMC 7H 13O 1 0G 300.000 5000.000 1390.000 2.39256329E+01 2.85722552E-02-9.78428852E-06 1.52057894E-09-8.82932128E-14 -2.56709397E+04-9.81734931E+01-6.89460021E-01 8.60015804E-02-6.12862996E-05 2.27088339E-08-3.46573783E-12-1.70995937E+04 3.40782918E+01 TC4H9CHCOCH3 3/4/96 THRMC 7H 13O 1 0G 300.000 5000.000 1394.000 2.42666643E+01 2.85991118E-02-9.86099273E-06 1.53937608E-09-8.96576896E-14 -3.05411954E+04-1.03331843E+02-1.85925046E+00 9.03847676E-02-6.61632235E-05 2.50957244E-08-3.90449871E-12-2.15371579E+04 3.67240737E+01 NEOC5H11COCH2 3/4/96 TRMC 7H 13O 1 0G 300.000 5000.000 1390.000 2.39256329E+01 2.85722552E-02-9.78428852E-06 1.52057894E-09-8.82932128E-14 -2.56709397E+04-9.81734931E+01-6.89460021E-01 8.60015804E-02-6.12862996E-05 2.27088339E-08-3.46573783E-12-1.70995937E+04 3.40782918E+01 NEOC6H13CHO 3/4/96 THERMC 7H 14O 1 0G 300.000 5000.000 1390.000 2.48969600E+01 2.98733076E-02-1.01450449E-05 1.56812987E-09-9.07200142E-14 -4.70628380E+04-1.05562716E+02-1.07662033E+00 9.06315437E-02-6.44711218E-05 2.36973093E-08-3.55917227E-12-3.80746419E+04 3.38641362E+01 NEOC6H13CO 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1390.000 2.44942743E+01 2.77558577E-02-9.43402090E-06 1.45914685E-09-8.44547842E-14 -2.81132437E+04-1.01752249E+02-2.87709630E-01 8.57649866E-02-6.12854159E-05 2.25486149E-08-3.38121978E-12-1.95488023E+04 3.12520715E+01 FC6H12CHO 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1390.000 2.44790270E+01 2.77234012E-02-9.41318956E-06 1.45492224E-09-8.41703414E-14 -2.19960556E+04-1.00455738E+02-2.96237000E-01 8.60441847E-02-6.19619487E-05 2.30482594E-08-3.50036387E-12-1.34640410E+04 3.24008289E+01 GC6H12CHO 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1379.000 2.47015833E+01 2.71261493E-02-9.13422284E-06 1.40508985E-09-8.10539274E-14 -2.35689644E+04-1.01453485E+02 2.26026624E-01 8.03948916E-02-5.12654503E-05 1.55470699E-08-1.72614040E-12-1.47828461E+04 3.12101951E+01 HC6H12CHO 3/4/96 THERMC 7H 13O 1 0G 300.000 5000.000 1395.000 2.46367754E+01 2.81015703E-02-9.64943101E-06 1.50224000E-09-8.73303956E-14 -2.68070892E+04-1.04624439E+02-1.49153599E+00 9.06166557E-02-6.72533407E-05 2.58235090E-08-4.05008952E-12-1.78994662E+04 3.51456906E+01 IC4H7COCH3 2/22/96 THERMC 6H 10O 1 0G 300.000 5000.000 1388.000 1.83434395E+01 2.44109312E-02-8.44066563E-06 1.31997092E-09-7.69676934E-14 -2.87734922E+04-6.84353349E+01 3.45161845E-02 6.50244770E-02-4.29538366E-05 1.48194489E-08-2.14333203E-12-2.21163912E+04 3.07996675E+01 IC4H7COCH2 2/22/96 THERMC 6H 9O 1 0G 300.000 5000.000 1390.000 1.89479328E+01 2.14495345E-02-7.44167879E-06 1.16641630E-09-6.81239978E-14 -7.41585721E+03-7.21913218E+01-3.53963022E-01 6.78928719E-02-5.13106907E-05 2.05242684E-08-3.41203256E-12-7.76525564E+02 3.11124973E+01 IC3H5CHCOCH3 2/22/96 TRMC 6H 9O 1 0G 300.000 5000.000 1390.000 1.85845410E+01 2.17712979E-02-7.55624175E-06 1.18472459E-09-6.92089797E-14 -8.68657098E+03-7.02588276E+01-5.58003073E-01 6.54550516E-02-4.56848950E-05 1.64019601E-08-2.42048198E-12-1.90754088E+03 3.29624279E+01 AC3H4CH2COCH3 2/22/96 TMC 6H 9O 1 0G 300.000 5000.000 1391.000 1.87819321E+01 2.19577231E-02-7.60408813E-06 1.19041134E-09-6.94658765E-14 -1.05343919E+04-7.09624946E+01-9.11540358E-01 6.96528187E-02-5.29708390E-05 2.13358360E-08-3.56619587E-12-3.79565358E+03 3.43197159E+01 XC7H13OOH-X1 4/1/96 TRMC 7H 14O 2 0G 300.000 5000.000 1394.000 2.66362046E+01 3.11410133E-02-1.07093968E-05 1.66864245E-09-9.70500546E-14 -3.34516870E+04-1.08689560E+02 7.76412273E-01 9.32733765E-02-6.90302856E-05 2.71131412E-08-4.42624208E-12-2.45737159E+04 2.96983529E+01 XC7H13O-X1 4/ 1/96 THERMC 7H 13O 1 0G 300.000 5000.000 1393.000 2.30727261E+01 2.95368852E-02-1.00745564E-05 1.56133137E-09-9.04775996E-14 -1.29725199E+04-9.30554662E+01-7.75300249E-01 8.49646400E-02-5.94662144E-05 2.16918278E-08-3.26005551E-12-4.65154069E+03 3.51414119E+01 YC7H13OOH-X1 4/1/96 TRMC 7H 14O 2 0G 300.000 5000.000 1393.000 2.64186836E+01 3.13780397E-02-1.08030073E-05 1.68451079E-09-9.80255605E-14 -3.47896774E+04-1.08001178E+02 1.02249456E+00 9.09767571E-02-6.50991461E-05 2.46035886E-08-3.87389704E-12-2.59288402E+04 2.84096505E+01 YC7H13O-X1 4/ 1/96 THERMC 7H 13O 1 0G 300.000 5000.000 1391.000 2.25900151E+01 2.99295397E-02-1.02060513E-05 1.58143556E-09-9.16308406E-14 -1.41654513E+04-9.07429884E+01-1.81317091E-01 8.13808255E-02-5.43600432E-05 1.87652595E-08-2.65959040E-12-6.06275977E+03 3.22056507E+01 OC7H13OOH-N 3/27/97 THRMC 7H 14O 2 0G 300.000 5000.000 1397.000 2.74150209E+01 3.04497504E-02-1.04670931E-05 1.63063783E-09-9.48366783E-14 -3.48277636E+04-1.15279505E+02-3.05484500E-01 9.61949401E-02-7.03532581E-05 2.65693066E-08-4.09705497E-12-2.53195779E+04 3.32124833E+01 OC7H13O-N 3/28/97 THERMC 7H 13O 1 0G 300.000 5000.000 1396.000 2.39390176E+01 2.87225504E-02-9.77892351E-06 1.51385879E-09-8.76662134E-14 -1.46526171E+04-9.97092488E+01-2.66228512E+00 9.33258885E-02-7.03068767E-05 2.75067837E-08-4.39060053E-12-5.69431956E+03 4.22270419E+01 XC7H13OOH-Z 4/1/96 THRMC 7H 14O 2 0G 300.000 5000.000 1392.000 2.77344809E+01 3.06208930E-02-1.06227239E-05 1.66488546E-09-9.72302336E-14 -3.55197897E+04-1.16497773E+02-1.48503090E+00 1.04030621E-01-8.36343827E-05 3.56106876E-08-6.23762247E-12-2.57692851E+04 3.88009911E+01 XC7H13O-Z 4/ 1/96 THERMC 7H 13O 1 0G 300.000 5000.000 1393.000 2.44947643E+01 2.76331607E-02-9.27884306E-06 1.42378456E-09-8.19634936E-14 -1.57122284E+04-1.01342872E+02-2.29755615E+00 9.42066780E-02-7.32881979E-05 2.96623011E-08-4.88038965E-12-6.85663941E+03 4.10526275E+01 PC7H13OOH-O 3/27/97 THRMC 7H 14O 2 0G 300.000 5000.000 1406.000 2.88747280E+01 2.87658684E-02-9.79083754E-06 1.51536577E-09-8.77386311E-14 -3.37434295E+04-1.24954947E+02-3.02722062E+00 1.11019293E-01-9.17829120E-05 3.88307706E-08-6.58157021E-12-2.35462632E+04 4.34529948E+01 PC7H13O-O 4/ 7/97 THERMC 7H 13O 1 0G 300.000 5000.000 1398.000 2.70665020E+01 2.54409611E-02-8.53248547E-06 1.30919024E-09-7.53950497E-14 -1.65200856E+04-1.18716143E+02-4.66019213E+00 1.04558207E-01-8.37076856E-05 3.35735802E-08-5.34053845E-12-6.20064331E+03 4.95722813E+01 OC7H13OOH-Q 3/27/97 THRMC 7H 14O 2 0G 300.000 5000.000 1398.000 2.75660499E+01 3.03391648E-02-1.04316827E-05 1.62530194E-09-9.45307884E-14 -3.45006038E+04-1.15756154E+02-7.90734105E-01 1.00002634E-01-7.70002750E-05 3.09783801E-08-5.10292520E-12-2.49866577E+04 3.53369865E+01 OC7H13O-Q 4/ 7/97 THERMC 7H 13O 1 0G 300.000 5000.000 1392.000 2.48114551E+01 2.73357475E-02-9.17594314E-06 1.40814702E-09-8.10840729E-14 -1.43009513E+04-1.05674605E+02-2.40308163E+00 9.16558423E-02-6.66066314E-05 2.44184717E-08-3.57059788E-12-5.04996482E+03 4.00121981E+01 NEOC6H11-H 4/ 7/97 THERMC 6H 11 0 0G 300.000 5000.000 1399.000 1.95860124E+01 2.25153841E-02-7.60834436E-06 1.17204189E-09-6.76433312E-14 1.31776377E+04-8.10505198E+01-2.65311926E+00 7.81742457E-02-6.14279453E-05 2.49885734E-08-4.11512815E-12 2.04740052E+04 3.69786298E+01 XC7H13OOH-Y2 4/1/96 TRMC 7H 14O 2 0G 300.000 5000.000 1397.000 2.67879504E+01 3.07897437E-02-1.05385579E-05 1.63676557E-09-9.49819719E-14 -3.66745351E+04-1.11694404E+02 9.22602794E-01 9.45450815E-02-7.20937380E-05 2.92248746E-08-4.89592286E-12-2.79723024E+04 2.61235641E+01 XC7H13O-Y2 4/ 1/96 THERMC 7H 13O 1 0G 300.000 5000.000 1395.000 2.34502681E+01 2.93961478E-02-1.00625079E-05 1.56299241E-09-9.07095315E-14 -1.70842806E+04-9.65158529E+01-1.00666852E+00 8.94593772E-02-6.79868664E-05 2.75737914E-08-4.63787960E-12-8.81465736E+03 3.39090116E+01 YC7H13OOH-X2 4/1/96 TRMC 7H 14O 2 0G 300.000 5000.000 1392.000 2.59633940E+01 3.17761504E-02-1.09429861E-05 1.70664641E-09-9.93263248E-14 -3.49851761E+04-1.03963771E+02 1.57763619E+00 8.69613937E-02-5.88014368E-05 2.07462381E-08-3.04306705E-12-2.62712900E+04 2.77464575E+01 YC7H13O-X2 4/ 1/96 THERMC 7H 13O 1 0G 300.000 5000.000 1393.000 2.22568730E+01 3.03747275E-02-1.03924985E-05 1.61372704E-09-9.36327358E-14 -1.47112471E+04-8.70694731E+01-3.89617202E-01 8.25257681E-02-5.67350163E-05 2.06158021E-08-3.13125784E-12-6.70837928E+03 3.49278519E+01 CC6H11-D 5/14/ 3 THERMC 6H 11 0 0G 300.000 5000.000 1391.000 1.66759139E+01 2.55188994E-02-8.75271262E-06 1.36122037E-09-7.90628889E-14 1.25816223E+04-6.17581772E+01 2.79892305E-01 6.08090233E-02-3.74358651E-05 1.19198836E-08-1.57803419E-12 1.86591061E+04 2.75036232E+01 DC6H11-D 5/14/ 3 THERMC 6H 11 0 0G 300.000 5000.000 1392.000 1.71678488E+01 2.50927881E-02-8.60445951E-06 1.33799261E-09-7.77083423E-14 1.37739196E+04-6.41092420E+01-1.02888525E-01 6.34862322E-02-4.12460161E-05 1.40677187E-08-2.01119123E-12 2.00376607E+04 2.94552886E+01 IC3H6CHCOCH3 3/4/96 THRMC 6H 10O 1 0G 300.000 5000.000 1386.000 1.84663850E+01 2.44259450E-02-8.47213874E-06 1.32761050E-09-7.75224614E-14 -3.27396361E+04-7.08968496E+01 8.85427322E-01 6.25311280E-02-4.00028998E-05 1.33360139E-08-1.87537015E-12-2.62281818E+04 2.47595184E+01 AC3H5CHCOCH3 3/4/96 THRMC 6H 9O 1 0G 300.000 5000.000 1386.000 1.94093580E+01 2.12803450E-02-7.43394792E-06 1.17058928E-09-6.85879838E-14 -1.47343669E+04-7.63296154E+01 3.32194844E-01 6.50925472E-02-4.64483778E-05 1.73165694E-08-2.69407590E-12-7.95952457E+03 2.65201335E+01 IC3H6CHCOCH2 3/4/96 THRMC 6H 9O 1 0G 300.000 5000.000 1388.000 1.90576522E+01 2.14419783E-02-7.45801114E-06 1.17093650E-09-6.84668640E-14 -1.13718745E+04-7.45617262E+01 6.52612117E-01 6.46089181E-02-4.71213384E-05 1.82350555E-08-2.95881586E-12-4.90902385E+03 2.43728654E+01 C7H162-4 7/19/00 THRMC 7H 16O 0 0G 300.000 5000.000 1391.000 2.22587834e+01 3.52460342e-02-1.21165333e-05 1.88731524e-09-1.09741951e-13 -3.66865565e+04-9.49273295e+01-2.25657881e+00 8.93437536e-02-5.76290654e-05 1.93991731e-08-2.72881106e-12-2.77531748e+04 3.80308727e+01 CH2COOH 4/28/ 8 THERMC 2H 3O 2 0G 300.000 5000.000 1390.000 9.03105185E+00 7.72073931E-03-2.68820025E-06 4.22378859E-10-2.47113786E-14 -3.13314833E+04-2.17206597E+01 1.78950630E+00 2.45664852E-02-1.77895238E-05 6.65398020E-09-1.02456210E-12-2.87988035E+04 1.72144240E+01 OLC8OOH 4/29/ 8 THERMC 8H 16O 2 0G 300.000 5000.000 1394.000 3.04598584E+01 3.56481446E-02-1.22905899E-05 1.91837103E-09-1.11714016E-13 -3.96062074E+04-1.32222494E+02-9.77409008E-01 1.11588575E-01-8.38968209E-05 3.32562045E-08-5.45201878E-12-2.88723679E+04 3.58389005E+01 NE NE 10 00 00 G 300.00 5000.00 1000.00 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 -0.74540000E+03 0.33420000E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-0.74540000E+03 0.33420000E+01 OCHO 2/14/95 THERMC 1H 1O 2 G 300.000 5000.000 1690.00 6.12628782E+00 3.75602932E-03-1.42010352E-06 2.36429200E-10-1.44167651E-14 -2.17698466E+04-8.01574694E+00 1.35213452E+00 1.50082004E-02-1.09896141E-05 3.73679840E-09-4.81014498E-13-2.02253647E+04 1.74373147E+01 O2CHO 6/26/95 THERMC 1H 1O 3 G 300.000 5000.000 1368.00 7.24075139E+00 4.63312951E-03-1.63693995E-06 2.59706693E-10-1.52964699E-14 -1.87027618E+04-6.49547212E+00 3.96059309E+00 1.06002279E-02-5.25713351E-06 1.01716726E-09-2.87487602E-14-1.73599383E+04 1.17807483E+01 HOCHO 4/ 9/98 THERMC 1H 2O 2 G 300.000 5000.000 1376.000 6.68733013E+00 5.14289368E-03-1.82238513E-06 2.89719163E-10-1.70892199E-14 -4.83995400E+04-1.13104798E+01 1.43548185E+00 1.63363016E-02-1.06257421E-05 3.32132977E-09-4.02176103E-13-4.64616504E+04 1.72885798E+01 HO2CHO 6/26/95 THERMC 1H 2O 3 G 300.000 5000.000 1378.00 9.87503878E+00 4.64663708E-03-1.67230522E-06 2.68624413E-10-1.59595232E-14 -3.80502496E+04-2.24939155E+01 2.42464726E+00 2.19706380E-02-1.68705546E-05 6.25612194E-09-9.11645843E-13-3.54828006E+04 1.75027796E+01 HOCH2O 4/ 9/98 THERMC 1H 3O 2 G 300.000 5000.000 1452.000 6.39521515E+00 7.43673043E-03-2.50422354E-06 3.84879712E-10-2.21778689E-14 -2.25557758E+04-6.63865583E+00 4.11183145E+00 7.53850697E-03 3.77337370E-06 -5.38746005E-09 1.45615887E-12-2.12471918E+04 7.46807254E+00 C2H3O1-2 4/ 3/ 0 THERMC 2H 3O 1 G 300.000 5000.000 1492.000 6.88486471E+00 6.94720501E-03-2.23214698E-06 3.32190767E-10-1.87124555E-14 1.26442200E+04-1.23842570E+01-1.62965122E+00 2.93455486E-02-2.43737550E-05 1.00522325E-08-1.61259036E-12 1.52459425E+04 3.22782741E+01 C2H3CO 4/ 3/ 0 THERMC 3H 3O 1 G 300.000 5000.000 1402.000 9.37467676E+00 7.91296900E-03-2.67198280E-06 4.11115430E-10-2.36978981E-14 1.92969514E+03-2.40892696E+01 1.36242013E+00 3.15273972E-02-3.00218935E-05 1.48167112E-08-2.87971530E-12 4.25770215E+03 1.72626546E+01 C2H3CHO 6/26/95 THERMC 3H 4O 1 G 300.000 5000.000 1393.000 1.04184959E+01 9.48963321E-03-3.29310529E-06 5.16279203E-10-3.01587291E-14 -1.49630281E+04-3.07235061E+01 2.92355162E-01 3.54321417E-02-2.94936324E-05 1.28100124E-08-2.26144108E-12-1.16521584E+04 2.28878280E+01 CH2CCH2OH 9/ 8/95 THERMC 3H 5O 1 G 300.000 5000.000 1372.00 9.70702027E+00 1.13972660E-02-3.77993962E-06 5.75209277E-10-3.29229125E-14

SUPPLEMENTAL MATERIAL 9.13212884E+03-2.25012933E+01 2.88422544E+00 2.42428071E-02-1.14152268E-05 1.71775334E-09 1.42177454E-13 1.17935615E+04 1.52102335E+01 CH3COCH2O 4/ 3/ 0 THERMC 3H 5O 2 G 300.000 5000.000 1370.000 1.14637586E+01 1.32124342E-02-4.56580495E-06 7.13897538E-10-4.16281047E-14 -2.23833017E+04-3.15127868E+01 3.72927689E+00 2.63943697E-02-1.09796486E-05 8.58185303E-10 3.39474590E-13-1.91551565E+04 1.18505335E+01 CH3CHOCHO 11/14/95 THERMC 3H 5O 2 G 300.000 5000.000 1395.000 1.27827539E+01 1.21529347E-02-4.21228103E-06 6.59844007E-10-3.85228684E-14 -2.15946846E+04-3.94512036E+01 5.06096897E-01 4.26121702E-02-3.37628379E-05 1.39422914E-08-2.35317319E-12-1.74952136E+04 2.58742916E+01 CH3COCH2O2 2/14/95 C 3H 5O 3 G 300.000 5000.000 1379.00 1.27690342E+01 1.42554828E-02-4.92821461E-06 7.70448921E-10-4.49110534E-14 -2.34798669E+04-3.27155799E+01 5.95535468E+00 2.70255205E-02-1.37385031E-05 3.53735851E-09-4.03922557E-13-2.06679464E+04 5.21436049E+00 C3H6OH 1/ 7/98 THERMC 3H 7O 1 G 300.000 5000.000 1674.000 9.31287816E+00 1.67579212E-02-5.75555480E-06 9.00584362E-10-5.26566836E-14 -1.20169635E+04-1.95011064E+01 1.20494302E+00 3.30857885E-02-1.63893637E-05 3.18103918E-09-6.84229288E-14-9.12961720E+03 2.47155202E+01 TC3H6OH 8/ 1/95 THERMC 3H 7O 1 G 300.000 5000.000 1389.00 1.01256920E+01 1.61868427E-02-5.52405957E-06 8.56051932E-10-4.95935542E-14 -1.70083112E+04-2.59254163E+01 2.31803956E+00 3.17304980E-02-1.69638706E-05 4.59998773E-09-5.18285520E-13-1.39382712E+04 1.71105868E+01 HOC3H6O2 1/ 7/98 THERMC 3H 7O 3 G 300.000 5000.000 1397.000 1.42691004E+01 1.71837825E-02-5.83419536E-06 9.00994191E-10-5.20716210E-14 -3.14501750E+04-4.15295035E+01 3.06954289E+00 4.43105640E-02-3.18636260E-05 1.26409287E-08-2.12751901E-12-2.75893676E+04 1.83891218E+01 C3H5OH 9/ 8/95 THERMC 3H 6O 1 G 300.000 5000.000 1388.00 1.02818222E+01 1.34248012E-02-4.47039448E-06 6.81924195E-10-3.90899553E-14 -1.99960114E+04-2.77736680E+01 1.08899314E+00 3.28481769E-02-1.91322648E-05 5.21635136E-09-4.82394566E-13-1.66282463E+04 2.22754535E+01 IC3H5OH 8/ 1/95 THERMC 3H 6O 1 G 300.000 5000.000 1374.00 1.07381025E+01 1.31698194E-02-4.41529622E-06 6.77009837E-10-3.89608901E-14 -2.47298321E+04-3.13634050E+01 1.58376391E+00 3.16215366E-02-1.73664942E-05 4.18927663E-09-2.79899620E-13-2.12643496E+04 1.88313766E+01 C4H8OH-2O2 6/26/95 THERMC 4H 9O 3 G 300.000 5000.000 1399.000 1.82942871E+01 2.09395389E-02-7.12096934E-06 1.10103094E-09-6.36889768E-14 -3.80505855E+04-6.29154326E+01 2.10003504E+00 6.17528218E-02-4.77238541E-05 1.99145784E-08-3.44416275E-12-3.26698755E+04 2.30901271E+01 C4H8OH-1O2 6/26/95 THERMC 4H 9O 3 G 300.000 5000.000 1396.000 1.74383247E+01 2.16778876E-02-7.37772628E-06 1.14128811E-09-6.60391451E-14 -3.55892620E+04-5.71247140E+01 2.88497398E+00 5.63287929E-02-3.98403503E-05 1.53891643E-08-2.51940787E-12-3.05246721E+04 2.09293355E+01 IO2C4H8OH 8/23/95 THERMC 4H 9O 3 G 300.000 5000.000 1395.000 1.79798208E+01 2.13452115E-02-7.29108198E-06 1.13068846E-09-6.55402236E-14 -3.85769917E+04-6.23553522E+01 2.88826008E+00 5.80363124E-02-4.26690874E-05 1.71759332E-08-2.91842186E-12-3.33881503E+04 1.83381149E+01 IC4H8OH 2/14/95 THERMC 4H 9O 1 G 300.000 5000.000 1376.000 1.25605997E+01 2.10637488E-02-7.15019648E-06 1.10439262E-09-6.38428695E-14 -1.86203249E+04-3.67889430E+01 3.29612707E+00 3.47649647E-02-1.02505618E-05 -2.04641931E-09 1.18879408E-12-1.45627247E+04 1.58606320E+01 C4H8OH-2 2/14/95 THERMC 4H 9O 1 G 300.000 5000.000 1390.000 1.40098964E+01 1.96303998E-02-6.61483807E-06 1.01686276E-09-5.85950747E-14 -1.90865900E+04-4.50052542E+01 7.34225848E-01 4.82233506E-02-2.92566110E-05 8.78396067E-09-1.01812519E-12-1.42394556E+04 2.71427693E+01 C4H8OH-1 2/14/95 THERMC 4H 9O 1 G 300.000 5000.000 2017.000 1.22411698E+01 2.14192799E-02-7.36540176E-06 1.15346865E-09-6.74843941E-14 -1.59314041E+04-3.35659613E+01 8.93729480E-01 4.56458552E-02-2.50918881E-05 6.24130181E-09-4.99533512E-13-1.20051696E+04 2.78453352E+01 CH3CHOOCOCH3 6/27/95 C 4H 7O 3 G 300.000 5000.000 1393.00 1.72170832E+01 1.76740453E-02-6.10387321E-06 9.53711693E-10-5.55757409E-14 -3.05280370E+04-5.67959657E+01 1.59405312E+00 5.74729487E-02-4.65071459E-05 2.01816805E-08-3.61175600E-12-2.53445178E+04 2.60857480E+01 CH2CHOOHCOCH3 6/27/95 C 4H 7O 3 G 300.000 5000.000 1394.00 1.93158016E+01 1.56592602E-02-5.45395604E-06 8.57160086E-10-5.01582885E-14 -2.47752201E+04-6.70296581E+01 1.55204769E+00 6.08201262E-02-5.04704383E-05 2.16347587E-08-3.75674081E-12-1.89563540E+04 2.71011896E+01 IC3H5O2HCHO 8/2/95 THERMC 4H 7O 3 G 300.000 5000.000 1387.00 2.06288832E+01 1.48625539E-02-5.25305276E-06 8.33772951E-10-4.91277401E-14 -2.27589076E+04-7.82962888E+01 2.05984770E+00 5.82331716E-02-4.37672100E-05 1.63249918E-08-2.43462051E-12-1.63496250E+04 2.13687921E+01 TC3H6O2HCO 8/ 2/95 THERMC 4H 7O 3 G 300.000 5000.000 1387.00 2.06472678E+01 1.48526500E-02-5.25104875E-06 8.33619219E-10-4.91256069E-14 -2.88719869E+04-7.95951389E+01 2.03864428E+00 5.80421003E-02-4.32123528E-05 1.58792094E-08-2.32209543E-12-2.24284673E+04 2.03680990E+01 TC3H6O2CHO 8/ 2/95 THERMC 4H 7O 3 G 300.000 5000.000 1386.00 1.85534443E+01 1.68774389E-02-5.90752965E-06 9.31518085E-10-5.46345187E-14 -2.85447191E+04-6.82486667E+01 2.17883383E+00 5.41595832E-02-3.83435886E-05 1.38308104E-08-2.04190147E-12-2.27394154E+04 2.00751264E+01 IC4H6OH 8/19/95 THERMC 4H 7O 1 G 300.000 5000.000 1390.00 1.40310926E+01 1.55317541E-02-5.32754961E-06 8.28785902E-10-4.81545257E-14 -7.69378228E+03-4.76555306E+01 8.63371227E-01 4.68711282E-02-3.43580339E-05 1.33031052E-08-2.13914975E-12-3.14948305E+03 2.29075523E+01 C4H7O 4/ 3/ 0 THERMC 4H 7O 1 G 300.000 5000.000 1395.000 1.53137780E+01 1.43427017E-02-4.81625517E-06 7.39574839E-10-4.26140814E-14 -7.29342884E+02-5.52937859E+01-1.60619192E+00 5.58562682E-02-4.35595767E-05 1.70589279E-08-2.65635180E-12 4.85090326E+03 3.47112559E+01 IC4H7O 4/ 3/ 0 THERMC 4H 7O 1 G 300.000 5000.000 1386.000 1.33457615E+01 1.61218588E-02-5.44376403E-06 8.38199374E-10-4.83608280E-14 6.11443644E+02-4.36818838E+01 1.74700687E+00 4.07783436E-02-2.44750243E-05 7.06502958E-09-7.51570589E-13 4.86979233E+03 1.94535999E+01 TC3H6OHCHO 8/ 1/95 THERMC 4H 8O 2 G 300.000 5000.000 1396.00 1.70788996E+01 1.74005554E-02-5.93008112E-06 9.18860909E-10-5.32512140E-14 -5.38730427E+04-6.38638754E+01 2.10033500E-01 5.63086284E-02-3.95158669E-05 1.37780428E-08-1.89068805E-12-4.80402638E+04 2.67836070E+01 IC4H7OH 4/ 8/97 THERMC 4H 8O 1 G 300.000 5000.000 1384.000 1.35043419E+01 1.78646968E-02-5.99304371E-06 9.18717641E-10-5.28435302E-14 -2.58255688E+04-4.44645715E+01 1.69099899E+00 4.27168891E-02-2.49281695E-05 7.00961522E-09-7.23262828E-13-2.14512334E+04 1.99500833E+01 IC4H7OOH 7/19/95 THERMC 4H 8O 2 G 300.000 5000.000 1392.00 1.69234564E+01 1.78396769E-02-6.14273279E-06 9.57895028E-10-5.57438304E-14 -2.00040686E+04-5.94746070E+01 2.99117402E+00 5.03349278E-02-3.56280061E-05 1.33952154E-08-2.11053409E-12-1.51095046E+04 1.54537413E+01 C4H2 H 2C 4 G 300.00 5000.00 1000.00 0.57657190E+01 0.11753300E-01-0.50388010E-05 0.94643000E-09-0.65414260E-13 0.54872110E+05-0.57254410E+01 0.39709810E+01 0.21204490E-01-0.17007310E-04 0.51673380E-08 0.59176860E-14 0.54861260E+05 0.17804350E+01 NC4H3 H 3C 4 G 300.00 5000.00 1000.00 0.81381840E+01 0.84829640E-02-0.22731880E-05 0.30566170E-09-0.16739050E-13 0.62426090E+05-0.15414750E+02 0.13988830E+01 0.32528050E-01-0.34423890E-04 0.19964820E-07-0.48259470E-11 0.63906800E+05 0.17818200E+02 IC4H3 H 3C 4 G 300.00 5000.00 1000.00 0.77441760E+01 0.88582230E-02-0.24105530E-05 0.32901320E-09-0.18270070E-13 0.57397500E+05-0.13078170E+02 0.19639190E+01 0.27907100E-01-0.25253300E-04 0.12505260E-07-0.26163660E-11 0.58743130E+05 0.15813710E+02 C4H4 5/ 6/91 THERMC 4H 4 0 G 300.000 5000.000 1394.000 1.13259548E+01 8.69029526E-03-3.01310685E-06 4.72292345E-10-2.75912745E-14 2.92384960E+04-3.62133803E+01 6.44973158E-02 3.74334710E-02-3.15026118E-05 1.34374217E-08-2.29593307E-12 3.28828571E+04 2.33661962E+01 NC4H5 5/ 6/91 THERMC 4H 5 0 G 300.000 5000.000 1404.000 1.15652616E+01 1.06404457E-02-3.59727110E-06 5.54155444E-10-3.19775833E-14 3.71172540E+04-3.68561710E+01-4.44602469E-01 4.37466778E-02-3.92100238E-05 1.80553180E-08-3.30215917E-12 4.07702054E+04 2.58307446E+01 IC3H5CO 4/ 3/ 0 THERMC 4H 5O 1 G 300.000 5000.000 1397.000 1.30667437E+01 1.16704244E-02-3.99106523E-06 6.19498148E-10-3.59348249E-14 -3.36519344E+03-4.35803090E+01 1.85097069E+00 4.18855846E-02-3.62553731E-05 1.65690659E-08-3.05850846E-12 1.70381441E+02 1.53014433E+01 SC3H5CO 11/15/95 THERMC 4H 5O 1 G 300.000 5000.000 1392.000 1.25514754E+01 1.22521948E-02-4.22382101E-06 6.59184896E-10-3.83818826E-14 -4.25349795E+03-4.02864145E+01 1.74191343E+00 3.97229536E-02-3.20061901E-05 1.38227925E-08-2.46272017E-12-6.64428100E+02 1.70762023E+01 IC3H5CHO 7/19/95 THERMC 4H 6O 1 G 300.000 5000.000 1396.00 1.36203958E+01 1.37917192E-02-4.73370118E-06 7.36655226E-10-4.20097974E-14 -2.00025274E+04-4.73184531E+01 6.27183793E-01 4.66780254E-02-3.74430631E-05 1.58330542E-08-2.73952155E-12-1.57203117E+04 2.16034294E+01 SC3H5CHO 11/15/95 THERC 4H 6O 1 G 300.000 5000.000 1390.000 1.31695904E+01 1.42484434E-02-4.90843998E-06 7.65789041E-10-4.45834896E-14 -2.04032613E+04-4.43673205E+01 4.35795171E-01 4.48719314E-02-3.36582931E-05 1.33066870E-08-2.17839128E-12-1.60394651E+04 2.37597452E+01 C2H3COCH3 6/19/95 THERMC 4H 6O 1 G 300.000 5000.000 1386.00 1.25571995E+01 1.49672645E-02-5.20015351E-06 8.15864365E-10-4.76824406E-14 -2.14622958E+04-4.01434299E+01 2.45578501E-01 4.26432049E-02-2.91126822E-05 1.03478392E-08-1.53551381E-12-1.70305379E+04 2.64430799E+01 NC4H10 1/14/95 THERMC 4H 10 0 G 300.000 5000.000 1389.000 1.25055526E+01 2.17524393E-02-7.43384945E-06 1.15331684E-09-6.68749762E-14 -2.19479302E+04-4.44902356E+01-5.95684473E-01 4.89605743E-02-2.82670269E-05 8.13598060E-09-9.29098101E-13-1.69934308E+04 2.71845212E+01 IC4H10 1/14/95 THERMC 4H 10 0 G 300.000 5000.000 1389.000 1.25733114E+01 2.18926418E-02-7.52538350E-06 1.17205495E-09-6.81446681E-14 -2.31696746E+04-4.68044255E+01-1.01277506E+00 5.04683181E-02-3.00502072E-05 9.15435582E-09-1.15326683E-12-1.80495698E+04 2.74256871E+01 C7H6 H 6C 7 G 300.00 5000.00 1000.00 0.16833480E+02 0.16722650E-01-0.56722060E-05 0.90402530E-09-0.55700430E-13 0.51975660E+05-0.59336220E+02 0.44814790E+00 0.62177700E-01-0.45388850E-04 0.10335740E-07 0.11474380E-11 0.56273800E+05 0.24808260E+02 C6H5CH3 5/19/93 THERMC 7H 8 0 G 300.000 5000.000 1389.000 1.63091542E+01 2.25331612E-02-7.84281827E-06 1.23200630E-09-7.20675043E-14 -2.75804095E+03-6.66759774E+01-4.08982289E+00 6.86477374E-02-4.74716566E-05 1.67001205E-08-2.39578007E-12 4.49937542E+03 4.34582591E+01 C6H5CH2J T08/90C 7H 7 0 G 200.000 6000.000 1000. 0.14043980E+02 0.23493873E-01-0.85375367E-05 0.13890841E-08-0.83614420E-13 0.18564203E+05-0.51665589E+02 0.48111540E+00 0.38512832E-01 0.32861492E-04 -0.76972721E-07 0.35423068E-10 0.23307027E+05 0.23548820E+02 C6H5CH2OOJ 3/ 4/94 THERMC 7H 7O 2 G 300.000 5000.000 1389.000 2.18946260E+01 2.02701494E-02-7.14525361E-06 1.13208570E-09-6.66220534E-14 3.93272947E+03-8.95685129E+01-3.77863659E+00 8.29484718E-02-6.64288143E-05 2.69504875E-08-4.41844689E-12 1.25603231E+04 4.73269747E+01 C6H5CH2OOH 3/ 4/94 THERMC 7H 8O 2 G 300.000 5000.000 1390.000 2.21951256E+01 2.19901041E-02-7.70452728E-06 1.21574282E-09-7.13427270E-14 -1.43966742E+04-9.07483698E+01-3.39515159E+00 8.45306884E-02-6.70634097E-05 2.72113250E-08-4.48289693E-12-5.78730853E+03 4.57078979E+01 C6H5CH2OJ 4/14/94 THERMC 7H 7O 1 G 300.000 5000.000 1392.000 1.78843033E+01 2.09011735E-02-7.21832713E-06 1.12839851E-09-6.57955260E-14 4.93182818E+03-7.01304667E+01-4.77736690E+00 7.51049308E-02-5.68532831E-05 2.18290029E-08-3.38134298E-12 1.26234438E+04 5.10429366E+01 C6H5CH2OH 4/14/94 THERMC 7H 8O 1 G 300.000 5000.000 1393.000 1.83336336E+01 2.24113846E-02-7.68817710E-06 1.19642445E-09-6.95416019E-14 -2.13970553E+04-7.22444987E+01-4.04500885E+00 7.57965615E-02-5.64777639E-05 2.15225418E-08-3.32436586E-12-1.37783634E+04 4.74803479E+01 C6H5CHOH THGEN C 7H 7O 1 G 300.000 5000.000 1000.00 0.11091690E+02 0.29148990E-01-0.99412180E-05 0.15909530E-08-0.98326780E-13 -0.10993650E+04-0.30850270E+02-0.42125030E+01 0.69650930E-01-0.44585110E-04 0.10634690E-07 0.30441610E-12 0.31603390E+04 0.48572090E+02 C6H5CHO 2/25/94 THERMC 7H 6O 1 G 300.000 5000.000 1382.000 1.75038056E+01 1.87911370E-02-6.51897523E-06 1.02244104E-09-5.97629759E-14 -1.31835944E+04-6.88975598E+01-2.70517666E+00 6.46821582E-02-4.57286415E-05 1.60322213E-08-2.23734122E-12-6.07344750E+03 4.00414090E+01 C6H5CJO 2/25/94 THERMC 7H 5O 1 G 300.000 5000.000 1382.000 1.77196103E+01 1.59990428E-02-5.54532150E-06 8.69582681E-10-5.08335220E-14 4.57408086E+03-6.82553109E+01-1.93001550E+00 6.18799970E-02-4.60916515E-05 1.70133701E-08-2.49869948E-12 1.13352170E+04 3.71779131E+01 C6H4CH3 THERGAS C 7H 7O 0 G 300.000 5000.000 1000.000 0.13591550E+02 0.22418670E-01-0.71369700E-05 0.10873460E-08-0.64936910E-13 0.28819480E+05-0.48078290E+02-0.35398380E+01 0.61119440E-01-0.31605520E-04 0.10428070E-08 0.28655690E-11 0.34181700E+05 0.43076900E+02 OC6H4CH3 THERGAS C 7H 7O 1 G 300.000 5000.000 1000.000 0.63262340E+01 0.37092070E-01-0.13736960E-04 0.23284710E-08-0.14970180E-12 -0.15663590E+04-0.46862110E+01-0.40396440E+01 0.73990950E-01-0.51594530E-04 0.12037280E-07 0.14321020E-11 0.22570760E+03 0.45316930E+02 HOC6H4CH3 THERGAS C 7H 8O 1 G 300.000 5000.000 1000.000 0.39369160E+01 0.45799220E-01-0.18917840E-04 0.34624380E-08-0.23498170E-12 -0.18224990E+05 0.74718090E+01-0.38386040E+01 0.77129970E-01-0.53355110E-04 0.12948980E-07 0.10976630E-11-0.17273920E+05 0.43575740E+02 OC6H4O 4/ 1/94 THERMC 6H 4O 2 G 300.000 5000.000 1390.000 1.89272866E+01 1.34964071E-02-4.81966200E-06 7.70239742E-10-4.56003968E-14 -2.39344268E+04-7.98144011E+01-3.40668328E+00 6.96410107E-02-5.94147062E-05 2.51063875E-08-4.21953602E-12-1.66350329E+04 3.86278633E+01 HOC6H4CH2 THERGAS C 7H 7O 1 G 300.000 5000.000 1000.000 0.68997000E+01 0.37664050E-01-0.14249900E-04 0.24513960E-08-0.15921530E-12 -0.10437810E+04-0.79669270E+01-0.41530490E+01 0.77699880E-01-0.58302870E-04 0.17867790E-07-0.53629970E-12 0.89669670E+03 0.45328890E+02 HOC6H4CH2OO THERGAS C 7H 7O 3 G 300.000 5000.000 1000.000 0.10171750E+02 0.39468030E-01-0.14712640E-04 0.25050000E-08-0.16153700E-12 -0.13021090E+05-0.19317620E+02-0.48034170E+01 0.94237540E-01-0.76791770E-04

SUPPLEMENTAL MATERIAL 0.26417140E-07-0.18194310E-11-0.10384100E+05 0.52840960E+02 HOC6H4CH2O THERGAS C 7H 7O 2 G 300.000 5000.000 1000.000 0.78560490E+01 0.39255930E-01-0.14759540E-04 0.25293740E-08-0.16391720E-12 -0.11950800E+05-0.10284050E+02-0.60673920E+01 0.89280760E-01-0.70811220E-04 0.23791760E-07-0.15076770E-11-0.94027250E+04 0.57145160E+02 HOC6H4CH2OOH THERGAS C 7H 8O 3 G 300.000 5000.000 1000.000 0.78802710E+01 0.46762810E-01-0.18945210E-04 0.34196660E-08-0.22975960E-12 -0.29733690E+05-0.53176800E+01-0.33626600E+01 0.89572000E-01-0.64173180E-04 0.14865920E-07 0.19227840E-11-0.28111440E+05 0.47796960E+02 HOC6H4CHO THERGAS C 7H 6O 2 G 300.000 5000.000 1000.000 0.26233480E+02 0.12467060E-01-0.38909820E-05 0.58398640E-09-0.34490610E-13 -0.37683470E+05-0.11400120E+03-0.23906710E+01 0.74205440E-01-0.44742460E-04 0.69828730E-08 0.12944420E-11-0.28176850E+05 0.39949580E+02 HOC6H4CO THERGAS C 7H 5O 2 G 300.000 5000.000 1000.000 0.25860790E+02 0.95144260E-02-0.23484450E-05 0.29605110E-09-0.15441900E-13 -0.20040060E+05-0.11201670E+03-0.13652230E+01 0.62537000E-01-0.27281220E-04 -0.48617900E-08 0.42731720E-11-0.10582670E+05 0.36144850E+02 C6H4OH THERGAS C 6H 5O 1 G 300.000 5000.000 1000.000 0.13767820E+02 0.16388790E-01-0.49098700E-05 0.71530200E-09-0.41369750E-13 0.11960300E+05-0.46872080E+02-0.19563360E+01 0.56848970E-01-0.35600940E-04 0.40005410E-08 0.26190580E-11 0.16331330E+05 0.34871730E+02 C6H5O2 4/26/ 0HADAD C 6H 5O 2 G 300.000 5000.000 1403.000 1.82202607E+01 1.59152200E-02-5.48905745E-06 8.57266857E-10-4.99524398E-14 9.64321495E+03-7.27017378E+01-4.10418376E+00 7.56653434E-02-6.75616707E-05 3.03037283E-08-5.37747223E-12 1.65682233E+04 4.43854600E+01 C6H6 5/2/91 THERMC 6H 6 0 G 300.000 5000.000 1390.000 1.38672847E+01 1.74152368E-02-6.08383755E-06 9.58140923E-10-5.61503296E-14 2.59989001E+03-5.68524653E+01-5.18689051E+00 6.30511006E-02-4.82874623E-05 1.89015490E-08-3.01017276E-12 9.09950343E+03 4.50744831E+01 C6H5 PHENYL RAD T04/02C 6H 5 0 G 200.000 6000.000 1000. 1.08444762E+01 1.73212473E-02-6.29233249E-06 1.02369961E-09-6.16216828E-14 3.55598475E+04-3.53735134E+01 2.10306633E-01 2.04745507E-02 5.89743006E-05 -1.01534255E-07 4.47105660E-11 3.95468722E+04 2.52910455E+01 YOC6JDO 4/26/ 0HADAD C 6H 5O 2 G 300.000 5000.000 1402.000 1.81847303E+01 1.59592345E-02-5.50687389E-06 8.60288089E-10-5.01370012E-14 -1.42411225E+04-7.17061777E+01-2.92236719E+00 7.15580542E-02-6.23775751E-05 2.74733056E-08-4.81161079E-12-7.59776622E+03 3.93242583E+01 RODC6JDO 4/26/ 0HADAD C 6H 5O 2 G 300.000 5000.000 1400.000 1.78077666E+01 1.57342093E-02-5.31173367E-06 8.17819899E-10-4.71852395E-14 -5.54991746E+03-6.95659926E+01 3.37183470E-01 6.11551836E-02-5.11124475E-05 2.19526855E-08-3.78092218E-12 6.99211714E+00 2.25447460E+01 OXCCXCCJXO 4/ 5/94THERMC 4H 3O 2 G 300.000 5000.000 1394.000 1.51222766E+01 7.86855773E-03-2.79188673E-06 4.44279496E-10-2.62250597E-14 -1.75413346E+04-5.12157742E+01 4.04651808E-01 4.93578716E-02-4.86244463E-05 2.35936197E-08-4.46549958E-12-1.31321917E+04 2.53224744E+01 BICPD 6/22/94 THERMC 10H 10 0 G 300.000 5000.000 1390.000 2.37376593E+01 3.04584890E-02-1.08284032E-05 1.72545836E-09-1.01947418E-13 1.46634901E+04-1.07726856E+02-2.04390488E+01 1.33899523E-01-1.01916956E-04 3.75374041E-08-5.40373749E-12 2.97634367E+04 1.29084476E+02 C6JYOO 4/26/ 0 C 6H 5O 2 G 300.000 5000.000 1402.000 1.89067274E+01 1.53069535E-02-5.27402706E-06 8.23188147E-10-4.79482227E-14 2.07181075E+04-7.69479534E+01-4.30389058E+00 7.94079577E-02-7.40991946E-05 3.45047697E-08-6.31020034E-12 2.77342644E+04 4.41091500E+01 CY13PD 5/ 2/91 THERMC 5H 6 0 G 300.000 5000.000 1400.000 1.26467216E+01 1.54049138E-02-5.27976433E-06 8.21090156E-10-4.77026129E-14 9.23782306E+03-4.78698742E+01-4.88591070E+00 6.00252758E-02-4.92777757E-05 2.06970535E-08-3.49397891E-12 1.49171729E+04 4.49199697E+01 C6H5OH 5/ 2/91 THERM C 6H 6O 1 G 300.000 5000.000 1397.000 1.71524986E+01 1.60438540E-02-5.46325607E-06 8.46545276E-10-4.90760276E-14 -1.94633414E+04-6.96841718E+01-4.48630945E+00 7.22845991E-02-6.19803619E-05 2.67795393E-08-4.60013317E-12-1.26013373E+04 4.43727892E+01 CY13PD5J 5/ 2/91 THERMC 5H 5 0 G 300.000 5000.000 1403.000 1.35569720E+01 1.22914133E-02-4.25209533E-06 6.65536380E-10-3.88428452E-14 2.21734660E+04-5.31109915E+01-5.44117341E+00 6.32470657E-02-5.71657025E-05 2.57052547E-08-4.55247216E-12 2.80395761E+04 4.64652136E+01 C6H5OJ 4/26/ 0HADAD C 6H 5O 1 G 300.000 5000.000 1401.000 1.59513173E+01 1.52837431E-02-5.26838909E-06 8.22485253E-10-4.79122756E-14 -1.56782534E+03-6.22003421E+01-4.56101748E+00 6.98936182E-02-6.18066353E-05 2.76045454E-08-4.89409696E-12 4.83671356E+03 4.55069524E+01 FULVENE 98 MARINOVC&FC 6H 6 0 G 300.000 3000.000 1000.00 0.55099388E+01 0.33879936E-01-0.17737071E-04 0.44769284E-08-0.44127372E-12 0.24921871E+05-0.67757489E+01-0.56096307E+01 0.73064757E-01-0.70326923E-04 0.36580449E-07-0.80201931E-11 0.27468885E+05 0.48339178E+02 CYC5H8 3/ 1/95 THERMC 5H 8 0 G 300.000 5000.000 1398.000 1.27525879E+01 2.01602949E-02-6.86564327E-06 1.06303695E-09-6.15663048E-14 -3.09810152E+03-4.85501459E+01-5.44615258E+00 6.33154620E-02-4.59351514E-05 1.71229729E-08-2.58907474E-12 3.11839629E+03 4.88944865E+01 CH2CY24PD 12/15/94 THERMC 6H 7 0 G 300.000 5000.000 1402.000 1.55519752E+01 1.77085606E-02-6.09452317E-06 9.50211121E-10-5.52948378E-14 2.85170008E+04-6.03503431E+01-6.08820883E+00 7.61402462E-02-6.77566170E-05 3.07797975E-08-5.56356102E-12 3.52270912E+04 5.30465780E+01 CYC6H7 1/19/95 THERMC 6H 7 0 G 300.000 5000.000 1397.000 1.45807530E+01 1.90472668E-02-6.57818915E-06 1.02815839E-09-5.99380191E-14 1.73949036E+04-5.69992223E+01-6.01550859E+00 6.95380134E-02-5.43113522E-05 2.16857946E-08-3.50034432E-12 2.42697461E+04 5.27055540E+01 FULVENYL MARINOV 1998 C 6H 5 0 G 300.000 5000.00 1400.00 1.49733861E+01 1.31279548E-02-4.43931566E-06 6.85048173E-10-3.96115173E-14 5.04662708E+04-5.79946013E+01-3.37529649E+00 5.92300122E-02-4.85540402E-05 1.97350757E-08-3.16400675E-12 5.63897813E+04 3.91932238E+01 CPDJCH3 5/19/93 THERMC 6H 7 0 G 300.000 5000.000 1400.000 1.67719080E+01 1.69553299E-02-5.89878767E-06 9.26452584E-10-5.41901391E-14 1.51931941E+04-6.88571619E+01-6.89848650E+00 8.10196607E-02-7.36595148E-05 3.37792196E-08-6.13407967E-12 2.25152042E+04 5.51218056E+01 STYR 9/10/93 THERMC 8H 8 0 G 300.000 5000.000 1396.000 1.92249323E+01 2.22832599E-02-7.68595290E-06 1.20019881E-09-6.99204017E-14 8.14911011E+03-7.98072202E+01-4.56741365E+00 8.21076898E-02-6.62823107E-05 2.76564392E-08-4.67898025E-12 1.59757463E+04 4.64480792E+01 DICYPD 6/21/94 THERMC 10H 12 0 G 300.000 5000.000 1392.000 2.39749595E+01 3.52708288E-02-1.24700883E-05 1.97979508E-09-1.16678757E-13 8.62179832E+03-1.09672463E+02-2.26739692E+01 1.42960823E-01-1.05472660E-04 3.76048718E-08-5.21352920E-12 2.47285806E+04 1.40949486E+02 CYC5H4CH3 12/15/94 THERMC 6H 7 0 G 300.000 5000.000 1400.000 1.67719080E+01 1.69553299E-02-5.89878767E-06 9.26452584E-10-5.41901391E-14 1.63507180E+04-6.88571619E+01-6.89848650E+00 8.10196607E-02-7.36595148E-05 3.37792196E-08-6.13407967E-12 2.36727281E+04 5.51218056E+01 CYC5H9 12/15/94 THERMC 5H 9 0 G 300.000 5000.000 1378.000 1.24946381E+01 2.23549938E-02-7.51362241E-06 1.15415415E-09-6.65065318E-14 6.45390040E+03-4.65796398E+01-5.78089755E+00 5.92878731E-02-3.26281412E-05 7.06409844E-09-1.75407888E-13 1.32581249E+04 5.34176945E+01 BICPDJ 9/ 2/93 THERMC 10H 9 0 G 300.000 5000.000 1399.000 2.45083550E+01 2.64757146E-02-9.27286602E-06 1.46300495E-09-8.58478665E-14 3.23863450E+04-1.13439904E+02-1.34109066E+01 1.24639346E-01-1.07874970E-04 4.68295361E-08-8.08624375E-12 4.44966038E+04 8.66451589E+01 CXCC(C#C)XC 4/3/03 THERMC 6H 6 0 G 300.000 5000.000 1387.000 1.51766669E+01 1.55012362E-02-5.43228931E-06 8.57195296E-10-5.02984330E-14 3.25609626E+04-5.54334104E+01-3.81178233E-01 5.40352836E-02-4.34005262E-05 1.84672859E-08-3.24815225E-12 3.78339571E+04 2.74962665E+01 CXCCXCCJ XIAN THERMC 5H 7 0 G 300.000 5000.000 1384.000 1.46398802E+01 1.60860417E-02-5.66411056E-06 8.96640460E-10-5.27310389E-14 1.74224568E+04-5.37942559E+01-1.95534763E+00 5.58644649E-02-4.32573342E-05 1.75877736E-08-2.96850177E-12 2.31644590E+04 3.51104649E+01 LINC6H7 5/ 7/91 THERMC 6H 7 0 G 300.000 5000.000 1405.000 1.76225860E+01 1.51976235E-02-5.15602211E-06 7.96188268E-10-4.60220066E-14 4.12781421E+04-6.76880771E+01-1.68717680E+00 6.97442629E-02-6.51384982E-05 3.08028076E-08-5.72894955E-12 4.70145566E+04 3.26256051E+01 CXCCXCC 3/ 1/95 THERMC 5H 8 0 G 300.000 5000.000 1395.000 1.39047758E+01 1.85254792E-02-6.33885215E-06 9.84235261E-10-5.71027672E-14 2.34402554E+03-4.99031649E+01-1.21646871E+00 5.69593952E-02-4.51457671E-05 1.93100960E-08-3.41706203E-12 7.35790640E+03 3.03267214E+01 CH3CY24PD 12/15/94 THERMC 6H 8 0 G 300.000 5000.000 1399.000 1.58460057E+01 2.00902785E-02-6.93497016E-06 1.08339840E-09-6.31318908E-14 3.42821098E+03-6.44405101E+01-6.05214392E+00 7.63737263E-02-6.34619690E-05 2.72515023E-08-4.72538827E-12 1.05143031E+04 5.13368383E+01 CYC5H7U1 3/ 1/95 THERMC 5H 7 0 G 300.000 5000.000 1405.000 1.33514589E+01 1.73652174E-02-5.95660177E-06 9.26668595E-10-5.38430106E-14 1.31128783E+04-4.88977074E+01-6.16539988E+00 6.79149320E-02-5.67945533E-05 2.43460812E-08-4.18641918E-12 1.93507391E+04 5.40864245E+01 CXCCJCXC 3/ 1/95 C 5H 7 0 G 300.000 5000.000 1390.000 1.39097710E+01 1.65297050E-02-5.77689959E-06 9.09959248E-10-5.33301641E-14 1.77407637E+04-5.03915802E+01-3.09633318E+00 5.77446981E-02-4.48246625E-05 1.81069620E-08-3.00618556E-12 2.35345666E+04 4.04767446E+01 CPDCXC 12/15/94 THERMC 7H 8 0 G 300.000 5000.000 1402.000 1.78678776E+01 2.08230902E-02-7.16659653E-06 1.11739206E-09-6.50251109E-14 1.53285313E+04-7.26513565E+01-6.71194396E+00 8.59702829E-02-7.45644868E-05 3.31169868E-08-5.87901139E-12 2.30640302E+04 5.65691171E+01 CHDKO 6/ 6/93 THERMC 6H 6O 1 G 300.000 5000.000 1387.000 1.61167993E+01 1.81401539E-02-6.35311309E-06 1.00216156E-09-5.87935485E-14 -1.10754772E+04-6.33265109E+01-2.79921250E+00 6.35524359E-02-4.89212749E-05 1.95590922E-08-3.21872114E-12-4.58446912E+03 3.79064147E+01 CHDJKO 1/30/93 THERMC 6H 5O 1 G 300.000 5000.000 1394.000 1.64155359E+01 1.54227914E-02-5.43596186E-06 8.61227637E-10-5.06814183E-14 -2.55440788E+03-6.60143302E+01-4.91147121E+00 6.88033251E-02-5.71749880E-05 2.38737203E-08-3.99171178E-12 4.45241669E+03 4.71910736E+01 CYPDONE 3/27/95 XIAN C 5H 4O 1 G 300.000 5000.000 1397.000 1.43779472E+01 1.19184228E-02-4.19444268E-06 6.63874349E-10-3.90411169E-14 -3.12321247E+03-5.61146171E+01-4.15438982E+00 6.11975086E-02-5.52982224E-05 2.49740399E-08-4.46438553E-12 2.68411141E+03 4.12432368E+01 HCOCJXO 1/ 7/94 THERMC 2H 1O 2 G 300.000 5000.000 1413.000 9.56248658E+00 2.73668655E-03-1.00178635E-06 1.62732634E-10-9.74372616E-15 -3.22485394E+03-2.52197723E+01 3.00486696E-01 2.77038168E-02-2.66618100E-05 1.20343295E-08-2.08589886E-12-4.23731341E+02 2.32044967E+01 CYC5H5OJ 5/ 2/91 C 5H 5O 1 G 300.000 5000.000 1395.000 1.49127777E+01 1.36359024E-02-4.70831344E-06 7.36265120E-10-4.29509412E-14 1.43674328E+04-5.69669820E+01-4.18680099E+00 6.25530448E-02-5.31527440E-05 2.26755263E-08-3.85181289E-12 2.05050843E+04 4.39771791E+01 CYC5H5OH 5/ 2/91 THERMC 5H 6O 1 G 300.000 5000.000 1398.000 1.53433477E+01 1.50754059E-02-5.13553582E-06 7.95807816E-10-4.61311517E-14 -1.19645453E+04-5.85204430E+01-4.26822012E+00 6.62446749E-02-5.68494038E-05 2.46858526E-08-4.26820696E-12-5.75581338E+03 4.47962850E+01 CYC5H4OH 5/ 2/91 C 5H 5O 1 G 300.000 5000.000 1409.000 1.64571358E+01 1.14589263E-02-3.86643522E-06 5.95873719E-10-3.44277590E-14 9.37609019E+02-6.38874692E+01-5.73477597E+00 7.32209786E-02-6.98649600E-05 3.24462652E-08-5.84437946E-12 7.50649045E+03 5.15348696E+01 OXCJCXCCXC 9/15/93THERMC 5H 5O 1 G 300.000 5000.000 1396.000 1.57951346E+01 1.22287902E-02-4.25808029E-06 6.69079450E-10-3.91463632E-14 8.39905638E+03-5.70349813E+01-1.49985884E+00 6.17452976E-02-6.00826860E-05 2.94552442E-08-5.66128550E-12 1.35479925E+04 3.27086508E+01 CJXCXO 10/ 4/93 THERMC 2H 1O 1 G 300.000 5000.000 1417.000 5.96870242E+00 3.43099806E-03-1.09218706E-06 1.61049568E-10-8.99809090E-15 1.86959738E+04-5.03421013E+00 2.83860668E+00 1.40014884E-02-1.44973917E-05 7.61160981E-09-1.52955572E-12 1.94604104E+04 1.06249101E+01 CJXCCXO 4/ 8/94 THERMC 3H 3O 1 G 300.000 5000.000 1402.000 1.07482537E+01 6.19822688E-03-2.06130981E-06 3.14418872E-10-1.80309517E-14 1.51410162E+04-3.01266033E+01 1.46654466E+00 3.23390476E-02-3.05588208E-05 1.44081861E-08-2.65600505E-12 1.78850058E+04 1.80850321E+01 OXCHOJ THERM8/91 C 1H 1O 2 G 300.000 5000.000 1453.000 6.40920688E+00 3.28189026E-03-1.18710674E-06 1.91323635E-10-1.13932748E-14 -2.20542060E+04-1.04575060E+01 1.52482282E+00 1.26249843E-02-6.61406757E-06 7.72750880E-10 2.09088864E-13-2.02040511E+04 1.64205770E+01 HCOHCO 11/18/93 THERMC 2H 2O 2 G 300.000 5000.000 1386.000 9.75438561E+00 4.97645947E-03-1.74410483E-06 2.75586994E-10-1.61969892E-14 -2.95832896E+04-2.61878329E+01 1.88105120E+00 2.36386368E-02-1.83443295E-05 6.84842963E-09-9.92733674E-13-2.69280190E+04 1.59154793E+01 CPDOOH 12/23/94 THERMC 5H 6O 2 G 300.000 5000.000 1397.000 1.90879305E+01 1.47694351E-02-5.19152626E-06 8.21019611E-10-4.82550028E-14 -5.53511312E+03-7.56064355E+01-4.18453798E+00 7.77836558E-02-7.18699521E-05 3.31691427E-08-6.04024361E-12 1.65907623E+03 4.62765275E+01 CXOCCJCXO 11/ 2/93 THERMC 4H 5O 2 G 300.000 5000.000 1372.000 1.45793600E+01 1.29398054E-02-4.52795832E-06 7.13908568E-10-4.18702910E-14 -2.09644091E+04-4.49396328E+01 5.14713278E+00 3.19745863E-02-1.88422308E-05 5.58268410E-09-6.94634293E-13-1.72942344E+04 6.94259964E+00 DHCO2J 4/ 6/94 C 2H 1O 4 G 300.000 5000.000 1532.000 1.47334267E+01 3.34959530E-03-1.42099386E-06 2.53086489E-10-1.61179731E-14 -3.72813816E+04-4.36581652E+01 8.80178445E+00 4.94190735E-03 1.15926744E-05 -1.20950072E-08 3.13319590E-12-3.39707062E+04-7.40191130E+00 CXOCJOH 2/14/95 THERMC 2H 3O 2 G 300.000 5000.000 1392.000 9.09175069E+00 7.48144292E-03-2.56404118E-06 3.98657838E-10-2.31543207E-14 -1.97214298E+04-1.75983974E+01 2.83582077E+00 2.19043873E-02-1.52705670E-05 5.50365575E-09-8.13969566E-13-1.75275727E+04 1.60713874E+01 CPDJONE APR.LST C 5H 3O 1 G 300.000 5000.000 1394.000 1.37920307E+01 9.94676171E-03-3.53224669E-06 5.62416803E-10-3.32119217E-14 2.82749422E+04-5.06039865E+01-2.97900157E+00 5.40428052E-02-4.87013197E-05 2.18001279E-08-3.86113970E-12 3.35757242E+04 3.76713392E+01

SUPPLEMENTAL MATERIALCXCCXCXO 12/27/94 THERMC 4H 4O 1 G 300.000 5000.000 1401.000 1.32918890E+01 9.42783712E-03-3.23329764E-06 5.02853718E-10-2.92089737E-14 -4.65486164E+03-4.48053204E+01-1.74329010E-01 4.99882693E-02-5.08353583E-05 2.57383902E-08-5.04416081E-12-8.53247629E+02 2.43466973E+01 CJXCCXCXO APR.LST C 4H 3O 1 G 300.000 5000.000 1401.000 1.37273605E+01 6.55159611E-03-2.25016948E-06 3.50319189E-10-2.03642753E-14 2.53422200E+04-4.50044906E+01 1.46891560E+00 4.57117267E-02-5.03333351E-05 2.66604935E-08-5.36154380E-12 2.85841219E+04 1.71604226E+01 CXCCJCXO 1/31/95 THERMC 4H 5O 1 G 300.000 5000.000 1393.000 1.25450764E+01 1.23216634E-02-4.26290245E-06 6.66936036E-10-3.89024204E-14 -2.83207676E+03-3.65507312E+01 1.44549897E-01 4.40495223E-02-3.63262463E-05 1.57451928E-08-2.78406786E-12 1.23431520E+03 2.91294645E+01 CXCCCJXO 5/10/94 THERMC 4H 5O 1 G 300.000 5000.000 1389.000 1.18646590E+01 1.28852832E-02-4.45460888E-06 6.96613045E-10-4.06215490E-14 3.86344452E+03-3.32989999E+01 9.34300027E-01 3.77751824E-02-2.61384581E-05 9.34041036E-09-1.37598294E-12 7.74223639E+03 2.56636231E+01 OXCCXCCXCJ 3/17/94 THERMC 5H 5O 1 G 300.000 5000.000 1399.000 1.63539852E+01 1.15730003E-02-3.99065616E-06 6.22954543E-10-3.62805238E-14 1.94320029E+04-5.92079822E+01-8.98792284E-02 6.02166232E-02-6.03090093E-05 3.02148406E-08-5.88608835E-12 2.41674700E+04 2.55574705E+01 CXOCCCJCXO 1/15/94 THERMC 5H 7O 2 G 300.000 5000.000 1359.000 1.67495698E+01 1.76002589E-02-5.98916805E-06 9.27650094E-10-5.37629506E-14 -2.14460869E+04-5.28247697E+01 5.70045881E+00 3.60712265E-02-1.38686845E-05 -7.62072050E-11 8.31375090E-13-1.68594701E+04 9.14837948E+00 CXOCCXCJ 12/13/93 THERMC 4H 5O 1 G 300.000 5000.000 1396.000 1.23960377E+01 1.21500606E-02-4.13869120E-06 6.40849893E-10-3.71147722E-14 1.50639838E+04-3.61556814E+01 1.44598093E+00 3.90420617E-02-2.97830471E-05 1.19081772E-08-1.95092654E-12 1.87333887E+04 2.21838661E+01 OXCJCXCCCXO 12/23/94THRMC 5H 5O 2 G 300.000 5000.000 1391.000 1.69674659E+01 1.34989962E-02-4.72957784E-06 7.46292772E-10-4.37930913E-14 -1.76886399E+04-5.76448416E+01 4.04546905E-01 5.58988879E-02-4.73861890E-05 2.06434888E-08-3.63153263E-12-1.22859657E+04 3.00307222E+01 CXOCCCJXO 5/ 5/94 THERMC 4H 5O 2 G 300.000 5000.000 1369.000 1.39398821E+01 1.30768500E-02-4.49050064E-06 6.99619378E-10-4.07081554E-14 -2.21572650E+04-4.08348854E+01 5.26873651E+00 2.96232020E-02-1.54390995E-05 3.50877521E-09-2.31149542E-13-1.87116524E+04 7.15918873E+00 CXOCCCXO 11/ 2/93 THERMC 4H 6O 2 G 300.000 5000.000 1371.000 1.44406255E+01 1.50487556E-02-5.13967301E-06 7.97895590E-10-4.63122524E-14 -4.11449658E+04-4.58917536E+01 4.48171350E+00 3.44515192E-02-1.84600554E-05 4.48418420E-09-3.58800501E-13-3.72374921E+04 9.07149396E+00 CXOCJCXO 10/15/93 THERMC 3H 3O 2 G 300.000 5000.000 1388.000 1.15553127E+01 8.26541096E-03-2.90883856E-06 4.60361477E-10-2.70704715E-14 -1.53011324E+04-3.02788743E+01 1.73207262E+00 3.21117881E-02-2.54057019E-05 1.02703474E-08-1.68852228E-12-1.19752646E+04 2.21677180E+01 CXOCCXO 10/15/93 THERMC 3H 4O 2 G 300.000 5000.000 1380.000 1.13146955E+01 1.09826045E-02-3.83865503E-06 6.04745993E-10-3.54478774E-14 -3.68456705E+04-3.10905302E+01 1.79852184E+00 3.04274142E-02-1.78928318E-05 4.68680660E-09-3.88605902E-13-3.32645409E+04 2.10026410E+01 CXCCCO2J 12/29/94 THERMC 4H 5O 2 G 300.000 5000.000 1394.000 1.31014888E+01 1.43653801E-02-4.96097546E-06 7.75190740E-10-4.51773635E-14 -2.14556874E+04-4.32632704E+01-9.25534522E-01 5.02116403E-02-4.11514066E-05 1.77825411E-08-3.14006631E-12-1.68498468E+04 3.10498181E+01 OXCCXCCXO 5/ 6/91 THERMC 4H 4O 2 G 300.000 5000.000 1385.000 1.46191433E+01 1.09193238E-02-3.86206176E-06 6.13272282E-10-3.61465924E-14 -2.90816690E+04-5.08276975E+01 1.17740159E+00 4.23067551E-02-3.18408983E-05 1.19690116E-08-1.81063004E-12-2.44288948E+04 2.13417216E+01 CYC4H5O21 12/31/94 THERMC 4H 5O 2 G 300.000 5000.000 1379.000 1.35982636E+01 1.39226113E-02-4.81078927E-06 7.52557900E-10-4.39089080E-14 -6.18905996E+03-4.19101280E+01 1.44289184E+00 4.20941013E-02-3.05004874E-05 1.18104270E-08-1.93491056E-12-1.86789471E+03 2.35839087E+01 OXCCXCCJCXO 12/23/94 C 5H 5O 2 G 300.000 5000.000 1387.000 1.79529662E+01 1.28543987E-02-4.55161528E-06 7.23280909E-10-4.26505626E-14 -1.67778521E+04-6.37516991E+01 7.35946673E-01 5.61552852E-02-4.72529312E-05 2.02637362E-08-3.51021540E-12-1.10881475E+04 2.76556378E+01 CXOCXCCJ 5/ 6/94 THERMC 4H 5O 1 G 300.000 5000.000 1386.000 1.35956195E+01 1.16987504E-02-4.10942758E-06 6.49516590E-10-3.81570959E-14 -3.53249337E+03-4.49691187E+01 1.01071252E+00 4.22707983E-02-3.32803885E-05 1.36479906E-08-2.30337936E-12 7.60368602E+02 2.22717669E+01 C5H5O1U1 2/ 2/96 THERMC 5H 5O 1 G 300.000 5000.000 1392.000 1.40521774E+01 1.49667233E-02-5.29832356E-06 8.41868720E-10-4.96425889E-14 -2.87155128E+03-5.32315192E+01-7.64332845E+00 6.87553506E-02-5.67436403E-05 2.33627343E-08-3.84202784E-12 4.29486685E+03 6.20911266E+01 PHENA PHENANTHRE T 1/94C 14H 10 0 0G 200.000 6000.000 1000.000 0.25517187E+02 0.39372794E-01-0.12315508E-04 0.12785280E-08 0.00000000E+00 0.13122404E+05-0.11561842E+03-0.90947410E+01 0.13133380E+00-0.92401729E-04 0.24015671E-07 0.00000000E+00 0.22764950E+05 0.63975360E+02 C14H14 C 14H 14O 0 G 300.00 3000.00 1000.00 0.18372486E+02 0.60647063E-01-0.21550639E-04 0.25428433E-08 0.00000000E+00 0.51851608E+04-0.65925118E+02-0.81478170E+01 0.13062060E+00-0.81936756E-04 0.19475726E-07 0.00000000E+00 0.12614180E+05 0.71845870E+02 C14H13 C 14H 13O 0 G 300.00 5000.00 1000.00 0.29929100E+02 0.38304220E-01-0.11866330E-04 0.17730590E-08-0.10447670E-12 0.19709960E+05-0.13171330E+03-0.76621550E+01 0.13350520E+00-0.97310320E-04 0.34282990E-07-0.47893710E-11 0.30991570E+05 0.65813480E+02 STYLBEN C 14H 12 G 300.00 3000.00 1000.00 0.26849750E+02 0.42842930E-01-0.15078500E-04 0.24664360E-08-0.15471790E-12 0.16421770E+05-0.11741830E+03-0.79270120E+01 0.13207530E+00-0.88117330E-04 0.19095230E-07 0.17687960E-11 0.26386720E+05 0.64074330E+02 XYLENE THERGAS C 8H 10O 0 G 300.000 5000.000 1000.000 0.16647870E+02 0.29035770E-01-0.97813380E-05 0.15518060E-08-0.95333120E-13 -0.62956210E+04-0.65045590E+02-0.33455100E+01 0.74388260E-01-0.41786820E-04 0.70195840E-08 0.10659790E-11 0.90807260E+02 0.41601160E+02 IND 12/16/94 THERMC 9H 8 0 G 300.000 5000.000 1398.000 2.05650080E+01 2.40327712E-02-8.27638045E-06 1.29145387E-09-7.52114721E-14 9.12366072E+03-8.95735971E+01-7.28231243E+00 9.11988088E-02-6.98829415E-05 2.68064158E-08-4.09653374E-12 1.84576190E+04 5.90250983E+01 NAPH 2/ 7/95 THERMC 10H 8 0 G 300.000 5000.000 1400.000 2.35897511E+01 2.43823788E-02-8.47570474E-06 1.33051182E-09-7.77992813E-14 6.53423379E+03-1.12133982E+02-8.84119851E+00 1.09328196E-01-9.50844165E-05 4.18320252E-08-7.33414017E-12 1.68163789E+04 5.86791942E+01 CH3OCO 11/14/92 THERMC 2H 3O 2 G 300.000 5000.000 2022.000 7.93872241E+00 9.83179392E-03-3.62304518E-06 5.93018825E-10-3.57358429E-14 -2.72284932E+04-1.32899508E+01 3.40389162E+00 1.73179494E-02-6.45033782E-06 -4.33768471E-11 3.36254887E-13-2.54267271E+04 1.20702852E+01 CR1 C 11H 14 G 300.000 5000.000 1000.000 0.24279490E+02 0.39277930E-01-0.13055830E-04 0.20529180E-08-0.12540460E-12 -0.22353090E+04-0.10073980E+03-0.50042680E+01 0.11094510E+00-0.68887570E-04 0.13968120E-07 0.13865460E-11 0.65442310E+04 0.53444110E+02 CR2 thergas C 11H 13 G 300.000 5000.000 1000.000 0.25058240E+02 0.34315250E-01-0.10420300E-04 0.15366490E-08-0.89823800E-13 0.14502190E+05-0.10337610E+03-0.45839760E+01 0.11088320E+00-0.80877940E-04 0.29184870E-07-0.42130710E-11 0.23258910E+05 0.51860730E+02 CR3 thergas C 9H 10 G 300.000 5000.000 1000.000 0.18680080E+02 0.30169120E-01-0.10243010E-04 0.16331680E-08-0.10063110E-12 0.45773950E+04-0.73825240E+02-0.23583740E+01 0.79961900E-01-0.48361590E-04 0.10559480E-07 0.31999080E-12 0.11109950E+05 0.37689190E+02 CR4 thergas C 9H 10 G 300.000 5000.000 1000.000 0.17127660E+02 0.32397100E-01-0.11243720E-04 0.18209820E-08-0.11343800E-12 0.79136930E+04-0.65188800E+02-0.45577240E+01 0.84743340E-01-0.51304120E-04 0.99964460E-08 0.10884650E-11 0.14495180E+05 0.49266860E+02 CR5 thergas C 10H 12 G 300.000 5000.000 1000.000 0.19743450E+02 0.37313040E-01-0.12802910E-04 0.20555460E-08-0.12720910E-12 0.25936450E+04-0.77858900E+02-0.55226880E+01 0.10054810E+00-0.63951510E-04 0.14412310E-07 0.67182840E-12 0.10042810E+05 0.54694010E+02 C6H5C2H2 thergas C 8H 7 G 300.000 5000.000 1000.000 0.14470230E+02 0.24105550E-01-0.77006060E-05 0.11776170E-08-0.70589850E-13 0.34523810E+05-0.52091260E+02-0.18113050E+01 0.60426670E-01-0.27360430E-04 -0.41005130E-08 0.48287310E-11 0.39537740E+05 0.34420980E+02 C6H5CH2CHO C 8H 8O 1 G 300.00 5000.00 1000.00 0.36747010E+02-0.42713440E-02 0.47925630E-05-0.12214140E-08 0.10045700E-12 -0.21783180E+05-0.17381830E+03 0.40768030E-01 0.61660050E-01-0.23909260E-04 -0.23290550E-08 0.82279070E-12-0.83429140E+04 0.28347620E+02 C6H5CH2CO C 8H 7O 1 G 300.00 5000.00 1000.00 1.77196103E+01 1.59990428E-02-5.54532150E-06 8.69582681E-10-5.08335220E-14 4.57408086E+03-6.82553109E+01-1.93001550E+00 6.18799970E-02-4.60916515E-05 1.70133701E-08-2.49869948E-12 1.13352170E+04 3.71779131E+01 C6H5C2H C 8H 60 00 G 300.00 3000.00 1000.00 0.6441450E+01 0.4174141E-01 -0.2277228E-04 0.5894608E-08 -0.5895331E-12 0.3527225E+05 -0.9471260E+01 0.1594150E+01 0.3139700E-01 0.6454891E-04 -0.1252211E-06 0.5840699E-10 0.3716431E+05 0.1965262E+02 CXCCXCCOH THERGAS C 5H 8O 1 G 300.00 5000.00 1000.00 -0.13762470E+02 0.68352840E-01-0.31479710E-04 0.62224960E-08-0.44634360E-12 -0.35527770E+04 0.10991420E+03-0.27265170E+01 0.69997250E-01-0.57273600E-04 0.18212470E-07 0.49437280E-12-0.99986140E+04 0.40701200E+02 PHCPH C 13H 120 00 G 300.00 5000.00 1000.00 0.41271980E+02-0.28005610E-02 0.26581290E-05-0.62594990E-09 0.50228890E-13 -0.13617500E+04-0.20203580E+03-0.25007810E+01 0.78441430E-01-0.33700470E-04 -0.25002600E-08 0.87943310E-12 0.14212280E+05 0.37690440E+02 C6H4 C 6H 40 00 G 300.00 5000.00 1000.00 0.13614350E+02 0.15026980E-01-0.60256150E-05 0.10798620E-08-0.72188830E-13 0.37314470E+05-0.49306480E+02-0.32525090E+01 0.63037570E-01-0.48882890E-04 0.11447960E-07 0.12520530E-11 0.41604910E+05 0.36836570E+02 O2C6H4CH3 C 7H 7O 2 G 300.000 5000.000 1000. 0.78560490E+01 0.39255930E-01-0.14759540E-04 0.25293740E-08-0.16391720E-12 -0.11950800E+05-0.10284050E+02-0.60673920E+01 0.89280760E-01-0.70811220E-04 0.23791760E-07-0.15076770E-11-0.94027250E+04 0.57145160E+02 LC6H5 CHAIN T09/90C 6H 5 0 G 200.000 6000.000 1000. 0.13411768E+02 0.14720221E-01-0.50817705E-05 0.79886354E-09-0.46950844E-13 0.58503716E+05-0.41652032E+02 0.77929707E+00 0.54372126E-01-0.47873814E-04 0.16187164E-07 0.33735744E-12 0.61650312E+05 0.22128592E+02 HO2C6H4CH2 C 7H 7O 2 G 300.000 5000.000 1000. 0.78560490E+01 0.39255930E-01-0.14759540E-04 0.25293740E-08-0.16391720E-12 -0.11950800E+05-0.10284050E+02-0.60673920E+01 0.89280760E-01-0.70811220E-04 0.23791760E-07-0.15076770E-11-0.94027250E+04 0.57145160E+02 RODC6J(C)DO C 7H 7O 2 G 300.000 5000.000 1000. 0.78560490E+01 0.39255930E-01-0.14759540E-04 0.25293740E-08-0.16391720E-12 -0.11950800E+05-0.10284050E+02-0.60673920E+01 0.89280760E-01-0.70811220E-04 0.23791760E-07-0.15076770E-11-0.94027250E+04 0.57145160E+02 OCCXCCXCJC C 6H 7O 1 G 300.000 5000.000 1000. 0.50497010E+01 0.38791860E-01-0.15320660E-04 0.27171260E-08-0.18033730E-12 0.19759840E+05 0.77722780E+01 0.29603150E+00 0.55823770E-01-0.36331940E-04 0.13226370E-07-0.19785830E-11 0.20733650E+05 0.31029680E+02 C5H3 CY T 3/94C 5H 3 0 G 200.000 6000.000 1000. 0.10397501E+02 0.10548283E-01-0.38462526E-05 0.62738447E-09-0.37836482E-13 0.79435481E+05-0.30539213E+02-0.30279743E+00 0.31376032E-01 0.30789383E-05 -0.35937535E-07 0.19474441E-10 0.82652282E+05 0.26395722E+02 C5H4 CY T 3/94C 5H 4 0 G 200.000 6000.000 1000. 0.10106809E+02 0.13457466E-01-0.48862383E-05 0.79465424E-09-0.47821691E-13 0.61714735E+05-0.30155332E+02 0.98338482E+00 0.21429446E-01 0.33390071E-04 -0.66941379E-07 0.30563346E-10 0.64905174E+05 0.20682801E+02 C6H5C2H2 C 8H 7 G 300.000 5000.000 1000.000 0.14470230E+02 0.24105550E-01-0.77006060E-05 0.11776170E-08-0.70589850E-13 0.34523810E+05-0.52091260E+02-0.18113050E+01 0.60426670E-01-0.27360430E-04 -0.41005130E-08 0.48287310E-11 0.39537740E+05 0.34420980E+02 C6H5C2H5 C 8H 100 00 G 300.00 3000.00 1000.00 0.3878978E+01 0.5810059E-01 -0.3196380E-04 0.8448993E-08 -0.8694825E-12 -0.5024922E+03 0.3823936E+01 -0.7266845E+01 0.1003089E+00 -0.9651715E-04 0.5565908E-07 -0.1453370E-10 0.1987290E+04 0.5856430E+02 C6H5C2H4 C(.)HCH3 C 8H 90 00 G 300.0 3000.0 1000.0 0.16311760E+02 0.26468430E-01-0.82500720E-05 0.12379150E-08-0.73142840E-13 0.12434840E+05-0.61654800E+02-0.31388300E+01 0.73564250E-01-0.45062580E-04 0.99457900E-08 0.39087490E-12 0.18338590E+05 0.40996950E+02 PHCCHPH THERGAS C 14H 11O 0 G 300.000 5000.000 1000.00 0.27175950E+02 0.37955300E-01-0.12265110E-04 0.18888160E-08-0.11364930E-12 0.40103460E+05-0.11821670E+03-0.73768820E+01 0.12670190E+00-0.87766600E-04 0.23655700E-07-0.58841870E-12 0.50103380E+05 0.62333000E+02 CJCXCC#C THGEN C 5H 5O 0 G 300.000 5000.000 1000.00 0.13598790E+02 0.10520470E-01-0.27927450E-05 0.37308060E-09-0.20346390E-13 0.40802660E+05-0.45005570E+02 0.20166590E+00 0.47214650E-01-0.40116650E-04 0.17586550E-07-0.32082200E-11 0.44628210E+05 0.24565410E+02 C12H10 C 12H 100 00 G 300.00 5000.00 1000.00 0.24289017E+02 0.34006648E-01-0.11722408E-04 0.17729298E-08-0.96812532E-13 0.10287000E+05-0.10802374E+03-0.40739527E+01 0.86973310E-01-0.42353613E-05 -0.64564460E-07 0.34150169E-10 0.19405965E+05 0.44741348E+02 C10H10 C 10H 100 00 G 300.00 5000.00 1000.00 0.22458530E+02 0.29898240E-01-0.10242450E-04 0.16427290E-08-0.10159410E-12 0.46171800E+04-0.11018190E+03-0.33795990E+01 0.92796250E-01-0.59191120E-04 0.12373030E-07 0.10362640E-11 0.12412380E+05 0.26016700E+02 C10H9 C 10H 90 00 G 300.00 5000.00 1000.00 0.24229390E+02 0.23702960E-01-0.70934600E-05 0.10358140E-08-0.60175150E-13 0.19509930E+05-0.11823740E+03-0.24291240E+01 0.87998290E-01-0.56839090E-04 0.12228180E-07 0.84745010E-12 0.27623040E+05 0.22532820E+02 PHCH2CH2CCH C 10H 11 G 300.00 5000.00 1000.00

SUPPLEMENTAL MATERIAL 0.43251140E+02-0.39227740E-02 0.56097520E-05-0.15321730E-08 0.13004790E-12 -0.18354710E+05-0.21143460E+03-0.16671590E+01 0.76793180E-01-0.31586770E-04 0.29960120E-09-0.10761510E-12-0.18059560E+04 0.36181180E+02 PHCH2CHCCH2 C 10H 11 G 300.00 5000.00 1000.00 0.19406490E+02 0.33109010E-01-0.11523350E-04 0.18712210E-08-0.11684640E-12 0.24320790E+05-0.75575480E+02-0.37264350E+01 0.89974210E-01-0.56943000E-04 0.13069400E-07 0.35429480E-12 0.31267220E+05 0.46215200E+02 PHCH2CCCH3 C 10H 11 G 300.00 5000.00 1000.00 0.42777660E+02-0.54862540E-02 0.64385930E-05-0.16658510E-08 0.13789990E-12 0.12674890E+05-0.20583690E+03 0.40701710E+00 0.68859990E-01-0.23271040E-04 -0.55781540E-08 0.19739180E-11 0.28386500E+05 0.28202830E+02 PHCH2CHCCH2 C 10H 11 G 300.00 5000.00 1000.00 0.19406490E+02 0.33109010E-01-0.11523350E-04 0.18712210E-08-0.11684640E-12 0.24320790E+05-0.75575480E+02-0.37264350E+01 0.89974210E-01-0.56943000E-04 0.13069400E-07 0.35429480E-12 0.31267220E+05 0.46215200E+02 PHCH2CCH C 9H 9 G 300.00 5000.00 1000.00 0.37039320E+02-0.42025160E-02 0.46436820E-05-0.11794200E-08 0.96889400E-13 0.19801320E+05-0.17561230E+03 0.44543460E+00 0.61842500E-01-0.24602510E-04 -0.17934080E-08 0.63674280E-12 0.33166950E+05 0.25817050E+02 OC6H4CH2 012508C 7H 6O 1 G 300.000 5000.000 1000.00 1.24204756E+01 2.70171830E-02-1.09476851E-05 2.02705529E-09-1.40757462E-13 4.49159466E+02-4.10236260E+01-6.21979546E-01 5.14918065E-02-6.11682462E-06 -2.88887155E-08 1.45119845E-11 4.44241036E+03 2.88224802E+01 C14H13OO 7/ 9/ 8 THERMC 14H 13O 2 0G 300.000 5000.000 1393.000 3.82107651E+01 3.84977641E-02-1.34898012E-05 2.12875101E-09-1.24923370E-13 3.86242489E+03-1.75065173E+02-9.38658087E+00 1.59326499E-01-1.33478336E-04 5.72138908E-08-9.89376100E-12 1.94401630E+04 7.71668433E+01 C14H12OH 7/ 9/ 8 THERMC 14H 13O 1 0G 300.000 5000.000 1395.000 3.76013813E+01 3.52772173E-02-1.19554307E-05 1.84725265E-09-1.06897439E-13 -3.24286754E+03-1.75146226E+02-1.00029740E+01 1.57514096E-01-1.32947464E-04 5.64509497E-08-9.53269334E-12 1.19759291E+04 7.62594783E+01 !!PC4H8OH 2/12/ 9 THERMC 4H 9O 1 0G 300.000 5000.000 1503.000 1.40357398E+01 1.94173155E-02-6.50230141E-06 9.95481694E-10-5.72034525E-14 -1.67631276E+04-4.41162528E+01 1.20329680E+00 4.40218297E-02-2.12295754E-05 3.03714993E-09 3.72027554E-13-1.18622440E+04 2.65515175E+01 SC4H8OH 2/12/ 9 THERMC 4H 9O 1 0G 300.000 5000.000 1392.000 1.48421985E+01 1.78435665E-02-6.16709050E-06 1.00443458E-09-6.10697983E-14 -1.81714637E+04-4.96976895E+01-1.04565044E+00 5.72423420E-02-4.43109142E-05 1.80944672E-08-3.02843329E-12-1.28718032E+04 3.48383489E+01 C6H5C2H5 7/29/ 9 THERMC 8H 10 0 0G 300.000 5000.000 1396.000 2.02158866E+01 2.57181400E-02-8.78778587E-06 1.36387819E-09-7.91252430E-14 -6.87601990E+03-8.60134130E+01-5.70126210E+00 8.90606644E-02-6.84365242E-05 2.70624855E-08-4.33907755E-12 1.79229957E+03 5.20981412E+01 C6H5C2H4P 7/29/ 9 THERMC 8H 9 0 0G 300.000 5000.000 1396.000 1.98006146E+01 2.35734350E-02-8.05910269E-06 1.25128895E-09-7.26159594E-14 1.81887791E+04-8.09253099E+01-4.93727507E+00 8.45456396E-02-6.60178082E-05 2.64632371E-08-4.29041682E-12 2.64052796E+04 5.07102875E+01 C6H5C2H4S 7/29/ 9 THERMC 8H 9 0 0G 300.000 5000.000 1396.000 1.98317067E+01 2.40092964E-02-8.21876729E-06 1.27726062E-09-7.41731462E-14 1.12688528E+04-8.51819715E+01-6.01558728E+00 8.73954364E-02-6.79894752E-05 2.70035345E-08-4.32578144E-12 1.98726473E+04 5.24486881E+01 CPDOO 12/23/ 9 THERMC 5H 5O 2 0G 300.000 5000.000 1391.000 1.69674659E+01 1.34989962E-02-4.72957784E-06 7.46292772E-10-4.37930913E-14 -1.76886399E+04-5.76448416E+01 4.04546905E-01 5.58988879E-02-4.73861890E-05 2.06434888E-08-3.63153263E-12-1.22859657E+04 3.00307222E+01 !!!1-PENTENE!C5D1OOH3 2/27/ 9 THERMC 5H 10O 2 0G 300.000 5000.000 1392.000 2.11242403E+01 2.18076700E-02-7.58406280E-06 1.19063877E-09-6.96163042E-14 -2.38633027E+04-8.20724662E+01-6.30460068E-01 7.65523392E-02-6.20597870E-05 2.65043498E-08-4.64293517E-12-1.66213446E+04 3.35058359E+01 C5H91O2-3 2/27/ 9 THERMC 5H 9O 2 0G 300.000 5000.000 1391.000 1.86702210E+01 2.16216768E-02-7.48512415E-06 1.17139079E-09-6.83358511E-14 -5.94893165E+03-6.78134047E+01 3.43181024E-01 6.76700566E-02-5.38079915E-05 2.31484493E-08-4.14073100E-12 2.25231466E+02 2.96899952E+01 C5H81OOH3-4 THERMC 5H 9O 2 0G 300.000 5000.000 1387.000 2.04736244E+01 1.93718338E-02-6.65285950E-06 1.03631449E-09-6.02831329E-14 -1.02391566E+02-7.51780148E+01 3.21512682E-01 6.81363037E-02-5.23290322E-05 2.07388630E-08-3.35294073E-12 6.71931786E+03 3.24418970E+01 C5H81OOH3-5 THERMC 5H 9O 2 0G 300.000 5000.000 1391.000 2.07195327E+01 1.96364025E-02-6.84241764E-06 1.07563823E-09-6.29511640E-14 1.19896467E+03-7.63467720E+01 1.22655285E-01 7.20652015E-02-5.96557159E-05 2.58930340E-08-4.58741292E-12 7.99306548E+03 3.28640779E+01 C5D1OOH4 2/27/ 9 THERMC 5H 10O 2 0G 300.000 5000.000 1392.000 2.09391593E+01 2.19315918E-02-7.61935362E-06 1.19536372E-09-6.98594927E-14 -2.43217709E+04-8.07878044E+01-4.02270229E-01 7.49307815E-02-5.94998930E-05 2.48933849E-08-4.28479913E-12-1.71553354E+04 3.28306877E+01 C5H81OOH4-3 THERMC 5H 9O 2 0G 300.000 5000.000 1395.000 2.13003585E+01 1.95078183E-02-6.78481644E-06 1.06526973E-09-6.22918022E-14 -6.03638639E+03-8.32373187E+01-1.09905666E+00 7.85076363E-02-6.81368662E-05 3.06237682E-08-5.54283245E-12 1.12681194E+03 3.47817523E+01 C5H81OOH4-5 THERMC 5H 9O 2 0G 300.000 5000.000 1392.000 2.05400792E+01 1.97587133E-02-6.87784366E-06 1.08045541E-09-6.32025760E-14 7.38073415E+02-7.50954151E+01 3.38002912E-01 7.05163186E-02-5.72050085E-05 2.43500517E-08-4.24439952E-12 7.46051091E+03 3.22447136E+01 C5H91O2-4 2/27/ 9 THERMC 5H 9O 2 0G 300.000 5000.000 1391.000 1.84021744E+01 2.17923554E-02-7.53113607E-06 1.17721317E-09-6.86192272E-14 -6.36049709E+03-6.60160803E+01 8.29161679E-01 6.49730353E-02-4.98486874E-05 2.07535028E-08-3.62109673E-12-3.48709260E+02 2.78111162E+01 C5D1OOH5 2/27/ 9 THERMC 5H 10O 2 0G 300.000 5000.000 1389.000 2.02435338E+01 2.25479471E-02-7.83761920E-06 1.23002226E-09-7.19013636E-14 -2.20352926E+04-7.72720710E+01 4.76783161E-01 6.90694626E-02-5.06174097E-05 1.95862575E-08-3.16334024E-12-1.51276599E+04 2.88960556E+01 C5H91O2-5 2/27/ 9 THERMC 5H 9O 2 0G 300.000 5000.000 1388.000 1.77874223E+01 2.23672091E-02-7.74125889E-06 1.21125611E-09-7.06521652E-14 -4.11946666E+03-6.30035459E+01 1.45241685E+00 6.01856302E-02-4.23740334E-05 1.62426968E-08-2.66522777E-12 1.71964569E+03 2.50683944E+01 C5H81OOH5-3 THERMC 5H 9O 2 0G 300.000 5000.000 1392.000 2.06841270E+01 2.00877308E-02-6.99755273E-06 1.09981315E-09-6.43576906E-14 -3.79637676E+03-8.02196830E+01-4.80015195E-01 7.37366908E-02-6.06933626E-05 2.61394273E-08-4.59439636E-12 3.19591805E+03 3.20592964E+01 C5H81OOH5-4 THERMC 5H 9O 2 0G 300.000 5000.000 1378.000 1.99797637E+01 1.94783902E-02-6.63044969E-06 1.02741023E-09-5.95687008E-14 1.58234802E+03-7.18412080E+01 1.40984227E+00 6.05508825E-02-4.03214237E-05 1.31746719E-08-1.67859779E-12 8.22059330E+03 2.86434933E+01 C5H92O2-1 2/27/ 9 THERMC 5H 9O 2 0G 300.000 5000.000 1382.000 1.73081531E+01 2.28361563E-02-7.91701528E-06 1.24017112E-09-7.23964243E-14 -4.77473659E+03-6.09976106E+01 3.26704287E+00 5.11396085E-02-2.90627615E-05 8.29183575E-09-9.77238694E-13 6.87723123E+02 1.62365492E+01 C5H81OOH5-4O2 THERMC 5H 9O 4 0G 300.000 5000.000 1389.000 2.43180086E+01 2.14111651E-02-7.49110481E-06 1.18078372E-09-6.92336785E-14 -1.84737378E+04-9.15550695E+01 1.76455657E+00 7.89923440E-02-6.60490017E-05 2.90938793E-08-5.24124922E-12-1.10119071E+04 2.80364294E+01 C5H81OOH4-5O2 THERMC 5H 9O 4 0G 300.000 5000.000 1389.000 2.43180086E+01 2.14111651E-02-7.49110481E-06 1.18078372E-09-6.92336785E-14 -1.84737378E+04-9.15550695E+01 1.76455657E+00 7.89923440E-02-6.60490017E-05 2.90938793E-08-5.24124922E-12-1.10119071E+04 2.80364294E+01 C5H81OOH3-4O2 THERMC 5H 9O 4 0G 300.000 5000.000 1391.000 2.51899540E+01 2.06629888E-02-7.23143253E-06 1.14009288E-09-6.68582448E-14 -2.02995332E+04-9.58973374E+01 7.00675697E-01 8.61763030E-02-7.69681261E-05 3.56494726E-08-6.63419204E-12-1.25103846E+04 3.28746076E+01 C5H81OOH5-3O2 THERMC 5H 9O 4 0G 300.000 5000.000 1388.000 2.45930237E+01 2.12211773E-02-7.43558644E-06 1.17319038E-09-6.88358634E-14 -1.80568519E+04-9.33693862E+01 1.50852696E+00 8.07768050E-02-6.87240343E-05 3.07180782E-08-5.59438096E-12-1.04758678E+04 2.88278214E+01 C5H81OOH4-3O2 THERMC 5H 9O 4 0G 300.000 5000.000 1391.000 2.51899540E+01 2.06629888E-02-7.23143253E-06 1.14009288E-09-6.68582448E-14 -2.02995332E+04-9.58973374E+01 7.00675697E-01 8.61763030E-02-7.69681261E-05 3.56494726E-08-6.63419204E-12-1.25103846E+04 3.28746076E+01 C5H81OOH3-5O2 THERMC 5H 9O 4 0G 300.000 5000.000 1388.000 2.45930237E+01 2.12211773E-02-7.43558644E-06 1.17319038E-09-6.88358634E-14 -1.80568519E+04-9.33693862E+01 1.50852696E+00 8.07768050E-02-6.87240343E-05 3.07180782E-08-5.59438096E-12-1.04758678E+04 2.88278214E+01 !!!NC5D1KET53 3/ 2/ 9 THERMC 5H 8O 3 0G 300.000 5000.000 1385.000 2.14757522E+01 1.92472750E-02-6.76598303E-06 1.06986594E-09-6.28685877E-14 -3.75872106E+04-8.07109370E+01 1.82097767E+00 6.74699547E-02-5.38264037E-05 2.27270486E-08-3.97590535E-12-3.08745570E+04 2.42292350E+01 NC5D1KET43 3/ 2/ 9 THERMC 5H 8O 3 0G 300.000 5000.000 1385.000 2.14757522E+01 1.92472750E-02-6.76598303E-06 1.06986594E-09-6.28685877E-14 -3.75872106E+04-8.07109370E+01 1.82097767E+00 6.74699547E-02-5.38264037E-05 2.27270486E-08-3.97590535E-12-3.08745570E+04 2.42292350E+01 NC5D1KET35 3/ 2/ 9 THERMC 5H 8O 3 0G 300.000 5000.000 1385.000 2.14757522E+01 1.92472750E-02-6.76598303E-06 1.06986594E-09-6.28685877E-14 -3.75872106E+04-8.07109370E+01 1.82097767E+00 6.74699547E-02-5.38264037E-05 2.27270486E-08-3.97590535E-12-3.08745570E+04 2.42292350E+01 NC5D1KET54 3/ 2/ 9 THERMC 5H 8O 3 0G 300.000 5000.000 1385.000 2.14757522E+01 1.92472750E-02-6.76598303E-06 1.06986594E-09-6.28685877E-14 -3.75872106E+04-8.07109370E+01 1.82097767E+00 6.74699547E-02-5.38264037E-05 2.27270486E-08-3.97590535E-12-3.08745570E+04 2.42292350E+01 NC5D1KET45 3/ 2/ 9 THERMC 5H 8O 3 0G 300.000 5000.000 1385.000 2.14757522E+01 1.92472750E-02-6.76598303E-06 1.06986594E-09-6.28685877E-14 -3.75872106E+04-8.07109370E+01 1.82097767E+00 6.74699547E-02-5.38264037E-05 2.27270486E-08-3.97590535E-12-3.08745570E+04 2.42292350E+01 NC5D1KET34 3/ 2/ 9 THERMC 5H 8O 3 0G 300.000 5000.000 1385.000 2.14757522E+01 1.92472750E-02-6.76598303E-06 1.06986594E-09-6.28685877E-14 -3.75872106E+04-8.07109370E+01 1.82097767E+00 6.74699547E-02-5.38264037E-05 2.27270486E-08-3.97590535E-12-3.08745570E+04 2.42292350E+01 CY3C5H8O 3/ 2/ 9 THERMC 5H 8O 1 0G 300.000 5000.000 1402.000 1.67912845E+01 1.86881223E-02-6.41180595E-06 9.97554346E-10-5.79620662E-14 -1.05005341E+04-6.49852651E+01-4.02699181E+00 7.41038879E-02-6.41370347E-05 2.86307024E-08-5.12072635E-12-3.95617677E+03 4.44028774E+01 C5H92O2-4 THERMC 5H 9O 2 0G 300.000 5000.000 1386.000 1.87422756E+01 2.13380683E-02-7.43357984E-06 1.16828688E-09-6.83588686E-14 -7.54450706E+03-6.87582545E+01 9.01375645E-01 6.38528130E-02-4.77374522E-05 1.92787152E-08-3.28774895E-12-1.29733332E+03 2.69893904E+01 C5H92O2-5 THERMC 5H 9O 2 0G 300.000 5000.000 1383.000 1.78573852E+01 2.20909964E-02-7.69351743E-06 1.20887677E-09-7.07226905E-14 -5.71648590E+03-6.32438068E+01 2.01314892E+00 5.63508696E-02-3.62787502E-05 1.23633332E-08-1.81156485E-12 1.96633604E+02 2.30545262E+01 C5H82OOH4-5 THERMC 5H 9O 2 0G 300.000 5000.000 1390.000 2.02523998E+01 2.00480932E-02-6.98766359E-06 1.09864079E-09-6.43037097E-14 -1.44634187E+02-7.41677167E+01 6.61394013E-01 6.85351930E-02-5.44450677E-05 2.28501169E-08-3.95647262E-12 6.46965092E+03 3.02230223E+01 C5H82OOH5-4 THERMC 5H 9O 2 0G 300.000 5000.000 1386.000 1.94018576E+01 2.12205528E-02-7.39842947E-06 1.16347432E-09-6.81095377E-14 -5.23334287E+03-7.36138989E+01 6.35397416E-01 6.41576696E-02-4.53679801E-05 1.67174432E-08-2.56598098E-12 1.43967333E+03 2.76051099E+01 C5H82OOH4-5O2 THERMC 5H 9O 4 0G 300.000 5000.000 1385.000 2.47038351E+01 2.08612744E-02-7.34831615E-06 1.16354536E-09-6.84394748E-14 -1.96566109E+04-9.45061735E+01 2.01349275E+00 7.72630274E-02-6.31038478E-05 2.70928041E-08-4.78676630E-12-1.19932070E+04 2.63607326E+01 C5H82OOH5-4O2 THERMC 5H 9O 4 0G 300.000 5000.000 1385.000 2.47038351E+01 2.08612744E-02-7.34831615E-06 1.16354536E-09-6.84394748E-14 -1.96566109E+04-9.45061735E+01 2.01349275E+00 7.72630274E-02-6.31038478E-05 2.70928041E-08-4.78676630E-12-1.19932070E+04 2.63607326E+01 NC5D2KET45 THERMC 5H 8O 3 0G 300.000 5000.000 1379.000 2.09987749E+01 1.97036451E-02-6.93515196E-06 1.09752667E-09-6.45309266E-14 -3.79899302E+04-7.93500933E+01 3.71881929E+00 5.80429795E-02-3.99351130E-05 1.44076499E-08-2.20489062E-12-3.16671772E+04 1.43761257E+01 NC5D2KET54 THERMC 5H 8O 3 0G 300.000 5000.000 1386.000 2.16296900E+01 1.91055629E-02-6.71524234E-06 1.06179912E-09-6.23944658E-14 -3.53019453E+04-8.07651220E+01 1.61871337E+00 6.65051584E-02-5.04588167E-05 1.98352113E-08-3.21601142E-12-2.83651200E+04 2.65655885E+01

The full mechanism in Chemkin Format is available at: https://www-pls.llnl.gov/?url=science_and_technology-chemistry-combustion-mechanisms Future developments will be posted at the same URL

SUPPLEMENTAL MATERIAL - Notepad...2004/06/29 · SUPPLEMENTAL MATERIAL M. MEHL, W.J. PITZ, C.K....

Documents

Transcript of SUPPLEMENTAL MATERIAL - Notepad...2004/06/29 · SUPPLEMENTAL MATERIAL M. MEHL, W.J. PITZ, C.K....