Compilation of Henry's law constants (version 4.0) for water as solvent

Atmos. Chem. Phys., 15, 43994981, 2015www.atmos-chem-phys.net/15/4399/2015/doi:10.5194/acp-15-4399-2015 Author(s) 2015. CC Attribution 3.0 License.

Compilation of Henrys law constants (version 4.0) forwater as solventR. Sander

Atmospheric Chemistry Department, Max Planck Institute for Chemistry, P.O. Box 3060, 55020 Mainz, Germany

Correspondence to: R. Sander ([email protected])

Received: 26 June 2014 Published in Atmos. Chem. Phys. Discuss.: 28 November 2014Revised: 16 March 2015 Accepted: 24 March 2015 Published: 30 April 2015

Abstract. Many atmospheric chemicals occur in the gasphase as well as in liquid cloud droplets and aerosol parti-cles. Therefore, it is necessary to understand the distributionbetween the phases. According to Henrys law, the equilib-rium ratio between the abundances in the gas phase and inthe aqueous phase is constant for a dilute solution. Henryslaw constants of trace gases of potential importance in envi-ronmental chemistry have been collected and converted intoa uniform format. The compilation contains 17 350 values ofHenrys law constants for 4632 species, collected from 689references. It is also available at http://www.henrys-law.org.

1 Introduction

Henrys law is named after the English chemist WilliamHenry, who studied the solubility of gases in the early 19thcentury. In his publication about the quantity of gases ab-sorbed by water (Henry, 1803), he described the results ofhis experiments:

[. . . ] water takes up, of gas condensed by one, two,or more additional atmospheres, a quantity which,ordinarily compressed, would be equal to twice,thrice, &c. the volume absorbed under the commonpressure of the atmosphere.

In other words, the amount of dissolved gas is proportional toits partial pressure in the gas phase. The proportionality fac-tor is called the Henrys law constant. In atmospheric chem-istry, these constants are needed to describe the distributionof trace species between the air and liquid cloud droplets oraerosol particles. In other areas of environmental research,these constants are needed to calculate the vaporization of

chemicals from rivers and during waste water treatment (e.g.,Shen, 1982; Hawthorne et al., 1985; David et al., 2000).

Section 2 provides the theoretical background of Henryslaw and commonly used quantities and units. In Sect. 3,the compilation of Henrys law constants is described in de-tail. Additional information can be found in the Supplement,which is described in Sect. 4.

2 Theoretical background

This publication tries to follow the recommendations of theInternational Union of Pure and Applied Chemistry (IUPAC)as far as possible. General recommendations for physi-cal chemistry have been published in the so-called GreenBook by Mills et al. (1993). In addition, there are also morespecific articles about atmospheric chemistry by Calvert(1990) and about solubility by Gamsjger et al. (2008, 2010).In accordance with the Green Book, the name Henrys lawconstant is used here throughout the text, not Henrys lawcoefficient. Nevertheless, it should be kept in mind that itsvalue still depends on certain parameters, e.g., temperatureand the ionic strength of the solution. IUPAC recommenda-tions for terminology, symbols, and units of Henrys law con-stants are described in the following sections.

2.1 Fundamental types of Henrys law constants

There are many variants of Henrys law constants which canall be classified into two fundamental types: one possibilityis to put the aqueous phase into the numerator and the gasphase into the denominator, i.e., define the constant as thequotient A/G. Here, A and G are quantities describing theequilibrium composition (at infinite dilution) of the aqueous

Published by Copernicus Publications on behalf of the European Geosciences Union.

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4400 R. Sander: Compilation of Henrys law constants

Table 1. Conversion factors between several Henrys law solubility constants H (at T = 298.15 K and % = 997 kg m3).

H cp = . . .mol

m3 PaH cp = . . .

M

atmH cc = . . . H bp = . . .

mol

kg PaH bp = . . .

mol

kg atmH xp = . . .

1

atm = . . .

H cp = 1mol

m3 Pa1.00000 101.325 2478.96 1.00301 103 101.630 1.83089 2271.10

H cp = 1M

atm9.86923 103 1.00000 24.4654 9.89893 106 1.00301 0.0180695 22.4140

H cc = 1 4.03395 104 0.0408740 1.00000 4.04609 107 0.0409970 7.38573 104 0.916150

H bp = 1mol

kg Pa997.000 1.01021 105 2.47152 106 1.00000 1.01325 105 1825.40 2.26428 106

H bp = 1mol

kg atm9.83962 103 0.997000 24.3920 9.86923 106 1.00000 0.0180153 22.3467

H xp = 11

atm0.546182 55.3419 1353.96 5.47826 104 55.5084 1.00000 1240.43

= 1 4.40316 104 0.0446150 1.09152 4.41641 107 0.0447493 8.06171 104 1.00000

Table 2. Conversion factors between several Henrys law volatility constants KH (at T = 298.15 K and % = 997 kg m3).

KpxH = . . . atm K

pcH = . . .

m3 Pa

molK

pcH = . . .

m3 atm

molKccH = . . .

KpxH = 1 atm 1.00000 1.83089 1.80695 10

5 7.38573 104

KpcH = 1

m3 Pa

mol0.546182 1.00000 9.86923 106 4.03395 104

KpcH = 1

m3 atm

mol55341.9 1.01325 105 1.00000 40.8740

KccH = 1 1353.96 2478.96 0.0244654 1.00000

Table 3. Products of Henrys law solubility constants H and Henrys law volatility constants KH (at T = 298.15 K and % = 997 kg m3).For example, if KpxH = 5 atm, then H

bp 11 mol (kg atm)1 because 5 11 55.5084.

H cp

mol m3 Pa1H cp

M atm1H cc

1

H bp

mol kg1 Pa1H bp

mol kg1 atm1H xp

atm1

1

KpxH

atm0.546182 55.3419 1353.96 5.47826 104 55.5084 1.00000 1240.43

KpcH

m3 Pa mol11.00000 101.325 2478.96 1.00301 103 101.630 1.83089 2271.10

KpcH

m3 atm mol19.86923 106 1.00000 103 0.0244654 9.89893 109 1.00301 103 1.80695 105 0.0224140

KccH1

4.03395 104 0.0408740 1.00000 4.04609 107 0.0409970 7.38573 104 0.916150

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R. Sander: Compilation of Henrys law constants 4401

phase and the gas phase, respectively. Alternatively, Henryslaw constant can be defined as the quotient G/A, which re-sults in the inverse value. There is no advantage or disad-vantage in using one or the other; the two types exist purelyfor historical reasons. Unfortunately, the name Henrys lawconstant is used for both types. Therefore, statements like alarge Henrys law constant are meaningless unless the typeis specified. The dimensionless constants (see Sects. 2.4.2and 2.5.3) are especially error-prone because their type can-not be deduced from the unit. In order to have consistentterminology, I recommend the name Henrys law solubilityconstant (or Henry solubility for conciseness) when refer-ring to A/G. When referring to G/A, the name Henrys lawvolatility constant (or Henry volatility) is used.

2.2 Variants of Henrys law constants

For both of the fundamental types described in the previoussection, there are several variants. This results from the mul-tiplicity of quantities that can be chosen to describe the com-position of the two phases. Typical choices for the aqueousphase are molar concentration (ca), molality (b), and molarmixing ratio (x). For the gas phase, molar concentration (cg)and partial pressure (p) are often used. Note, however, thatit is not possible to use the gas-phase mixing ratio (y). At agiven gas-phase mixing ratio, the aqueous-phase concentra-tion ca depends on the total pressure, and thus the ratio y/cais not a constant.

There are numerous combinations of these quantities.The most frequently used variants of Henry solubilities andHenry volatilities are presented in Sects. 2.4 and 2.5, respec-tively. Conversion factors between them are shown in Ta-bles 1, 2, and 3. Further information about the conversionbetween different units and definitions of Henrys law con-stants can be found in Sander (1999) or Sazonov and Shaw(2006).

2.3 Symbols

In the current literature, a plethora of different symbols areused for the Henrys law constants. Several symbols are usedfor the same variant, and sometimes the same symbol is usedfor different variants. However, for this work consistent ter-minology is indispensable. For Henrys law solubility con-stants, I follow the IUPAC recommendation for atmosphericchemistry by Calvert (1990) and use the symbol H . Choos-ing a suitable symbol for Henrys law volatility constants ismore difficult. Although the IUPAC Green Book by Millset al. (1993) recommends the symbol kH with a lowercasek, this symbol is hardly used at all in the literature. A majordisadvantage is its internal inconsistency with other IUPACrecommendations: normally, the lowercase k describes rateconstants, whereas the uppercase K describes equilibriumconstants (Mills et al., 1993). Considering this problem, I de-

cided to use and recommend the symbol KH with an upper-case K .

To specify the exact variant of the Henrys law constant,two superscripts are used. They refer to the numerator andthe denominator of the definition. For example, H cp refersto the Henry solubility defined as c/p. If H refers to stan-dard conditions (T = 298.15 K), it will be denoted as H.A summary of the symbols is shown in Table 4.

2.4 Henrys law solubility constants H

2.4.1 Henry solubility defined via concentration (H cp)

Atmospheric chemists often define the Henry solubility as

H cpdef= ca/p. (1)

Here, ca is the concentration of a species in the aqueousphase, and p is the partial pressure of that species in the gasphase under equilibrium conditions.

The SI unit for H cp is mol m3 Pa1. However, often theunit M atm1 is used since ca is usually expressed in M(1 M = 1 mol dm3) and p in atm (1 atm = 101 325 Pa).

2.4.2 The dimensionless Henry solubility H cc

The Henry solubility can also be expressed as the dimen-sionless ratio between the aqueous-phase concentration ca ofa species and its gas-phase concentration cg:

H ccdef= ca/cg. (2)

For an ideal gas, the conversion is

H cc = H cp RT, (3)

where R = gas constant (see Table 4) and T = temperature.Sometimes, this dimensionless constant is called the

waterair partitioning coefficient KWA. It is closely relatedto the various, slightly different definitions of the Ostwaldcoefficient L, as discussed by Battino (1984).

2.4.3 Henry solubility defined via aqueous-phasemixing ratio (H xp)

Another Henrys law solubility constant is

H xpdef= x/p. (4)

Here, x is the molar mixing ratio in the aqueous phase. Fora dilute, aqueous solution the conversion between x and ca is

ca x%H2O

MH2O, (5)

where %H2O = density of water and MH2O = molar mass ofwater. Thus,

H xp MH2O

%H2O H cp. (6)

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Table 4. List of symbols.

Symbol Quantity SI unit

Bunsen coefficient dimensionless% density kg m3

A parameter for T dependence of H dimensionlessb molality mol kg1

B parameter for T dependence of H dimensionlessC parameter for T dependence of H dimensionlessca aqueous-phase concentration mol m

3aq

cg gas-phase concentration mol m3g

D parameter for T dependence of H dimensionless1solH molar enthalpy of dissolution J mol

1

H Henry solubility (all variants) miscellaneousH H at standard temperature T miscellaneousH bp Henry solubility (defined as b/p) mol (kg Pa)1

H cc Henry solubility (defined as c/c) dimensionlessH cp Henry solubility (defined as c/p) mol m3aq Pa

1

Heff effective Henry solubility miscellaneousH H KA (for strong acids) miscellaneousKA acid constant mol m

3aq

KAW airwater partitioning coefficient = KccH dimensionless

KH Henry volatility (all variants) miscellaneousKH KH at standard temperature T

miscellaneousKccH Henry volatility (defined as c/c) dimensionlessK

pcH Henry volatility (defined as p/c) m

3aq Pa mol

1

KpxH Henry volatility (defined as p/x) Pa

KWA waterair partitioning coefficient = Hcc dimensionless

L Ostwald coefficient dimensionlessM molar mass kg mol1

p partial pressure = cgRT PaR gas constant 8.314 J mol1 K1

T temperature KT standard temperature 298.15 KT STP standard temperature for Bunsen coefficient 273.15 Kx molar mixing ratio in the aqueous phase mol mol1 (dimensionless)y molar mixing ratio in the gas phase mol mol1 (dimensionless)

The SI unit for H xp is Pa1. However, atm1 is still fre-quently used.

2.4.4 Henry solubility defined via molality (H bp)

It can be advantageous to describe the aqueous phase in termsof molality instead of concentration. The molality of a solu-tion does not change with T since it refers to the mass of thesolvent. In contrast, the concentration c does change with T ,since the density of a solution and thus its volume are tem-perature dependent. Defining the aqueous-phase compositionvia molality has the advantage that any temperature depen-dence of the Henrys law constant is a true solubility phe-nomenon and not introduced indirectly via a density changeof the solution. Using molality, the Henry solubility can bedefined as

H bpdef= b/p. (7)

Here, b is used as the symbol for molality (instead of m) toavoid confusion with the symbol m for mass. The SI unit forH bp is mol kg1 Pa1. There is no simple way to calculateH cp from H bp since the conversion between concentrationca and molality b involves all solutes of a solution. For asolution with a total of n solutes with indices i = 1, . . . ,n,the conversion is

ca =b%

1 +n

i=1 biMi, (8)

where % = density of the solution, and M = molar mass.Here, b is identical to one of the bi in the denominator. If



there is only one solute, Eq. (8) simplifies to

ca =b%

1 + bM. (9)

Henrys law is only valid for dilute solutions where bM 1and % %H2O. In this case, the conversion reduces further to

ca b%H2O, (10)

and thus,

H bp H cp/%H2O. (11)

2.4.5 The dimensionless Bunsen coefficient

According to Sazonov and Shaw (2006), the dimensionlessBunsen coefficient is defined as The volume of saturatinggas, reduced to 273.15 K and 1 bar, which is absorbed by unitvolume of pure solvent at the temperature of measurementand partial pressure of 1 bar. If the gas is ideal, the pressurecancels out, and the conversion to H cp is simply

H cp = 1

RT STP, (12)

with T STP = 273.15 K. Note that according to this definition,the conversion factor is not temperature dependent. Indepen-dent of the temperature that the Bunsen coefficient refers to,273.15 K is always used for the conversion. The Bunsen co-efficient has been used mainly in older literature.

2.4.6 The Kuenen coefficient S

According to Sazonov and Shaw (2006), the Kuenen coeffi-cient S is defined as The volume of saturating gas, reducedto 273.15 K and 1 bar, which is dissolved by unit mass ofpure solvent at the temperature of measurement and partialpressure 1 bar. If the gas is ideal, the relation to H cp is

H cp = S %

RT STP, (13)

where % is the density of the solvent and T STP = 273.15 K.The SI unit for S is m3 kg1. The Kuenen coefficient hasbeen used mainly in older literature. IUPAC considers it tobe obsolete (Gamsjger et al., 2010).

2.5 Henrys law volatility constants KH

2.5.1 The Henry volatility defined via concentration(KpcH )

A common way to define Henry volatility is by dividing thepartial pressure by the aqueous-phase concentration:

KpcH

def= p/ca = 1/H

cp. (14)

The SI unit for KpcH is Pa m3 mol1.

2.5.2 The Henry volatility defined via aqueous-phasemixing ratio (KpxH )

Another Henry volatility is

KpxH

def= p/x = 1/H xp. (15)

The SI unit for KpxH is Pa. However, atm is still frequentlyused.

2.5.3 The dimensionless Henry volatility KccH

The Henry volatility can also be expressed as the dimension-less ratio between the gas-phase concentration cg of a speciesand its aqueous-phase concentration ca:

KccHdef= cg/ca = 1/H

cc. (16)

In chemical engineering, this dimensionless constant issometimes called the airwater partitioning coefficientKAW.

2.6 Temperature dependence of Henrys law constants

The temperature dependence of equilibrium constants cangenerally be described with the van t Hoff equation (e.g.,Atkins, 1986). It also applies to Henrys law constants:

d lnH

d(1/T )=

1solH

R, (17)

where 1solH = enthalpy of dissolution. Note that the letterH in the symbol 1solH refers to enthalpy and is not related tothe H of Henrys law constants. Integrating the above equa-tion leads to

H(T ) = A exp

(B

T

)(18)

with the parameters A and B. When reporting H as a func-tion of these parameters, it is important to present sufficientsignificant digits of B because H depends exponentially onit. Alternatively, one can create an expression based on H

at the reference temperature T = 298.15 K:

H(T ) = H exp

(1solH

R

(1

T

1

T

)). (19)

Here, H =A exp(B/T ) and 1solH/R =B. In thiswork, the values H and 1solH/R are tabulated.

The van t Hoff equation in this form is only valid for alimited temperature range in which 1solH does not changemuch with temperature. To cover a larger temperature range,in which 1solH cannot be considered constant anymore, dif-ferent empirical methods can be used. Often, the temperaturedependence dlnH/d(1/T ) is expressed as the sum of sev-eral terms. Then, the analytical derivative is simply the sum



Table 5. Temperature-dependent terms and their analytical deriva-tives. Here, C, C1, and C2 are the empirical fit parameters definingln(H). See Sect. 2.6 for details.

ln(H)dlnH

d(1/T )

C 0C/T C

CT CT 2

CT 2 2C/T 3

C/T 2 2C/TC/T 3 3C/T 2

C ln(T ) CTC1 ln(C2T ) C1T (independent of C2)C lg(T ) CT/ ln(10)

of the derivatives of the individual terms. For example, Wil-helm et al. (1977) used the formula:

lnH = A + B T 1 + C lnT + D T . (20)

Using the derivatives from Table 5, the temperature depen-dence of this expression can be calculated as

d lnH

d(1/T )= 0 + B C T D T 2. (21)

Note that the temperature dependences for H cp and H cc

are different since the conversion factor between them in-cludes the temperature:

H cp = H cc/(RT )

lnH cp = lnH cc + ln(1/R) + ln(1/T )

dlnH cp

d(1/T )=

dlnH cc

d(1/T )+

dln(1/T )

d(1/T )

=dlnH cc

d(1/T )+ T . (22)

2.7 Effective Henrys law solubility constants Heff

The Henrys law constants mentioned so far do not considerany chemical equilibria in the aqueous phase. This type iscalled the intrinsic (or physical) Henrys law constant.For example, the intrinsic Henrys law constant of methanalcan be defined as

H cp =c(HCHO)

p(HCHO). (23)

In aqueous solution, methanal is almost completely hydrated:

HCHO + H2O H2C(OH)2. (24)

The total concentration of dissolved methanal is

ctot = c(HCHO) + c(H2C(OH)2). (25)

Taking this equilibrium into account, an effective Henryslaw constant Heff can be defined:

Heff =ctot

p(HCHO)=

c(HCHO) + c(H2C(OH)2)

p(HCHO). (26)

For acids and bases, the effective Henrys law constant is nota useful quantity because it depends on the pH of the solution(Sander, 1999). In order to obtain a pH-independent constant,the product of the intrinsic Henrys law constant H cp and theacidity constant KA is often used for strong acids, e.g., forHCl:

H = H cp KA =c(H+) c(Cl)

p(HCl). (27)

It should be noted that H and H cp are different quantitieswith different units. Thus, H should not be referred to as aHenrys law constant.

2.8 Dependence of Henrys law constants on thecomposition of the solution

Values of Henrys law constants for aqueous solutions de-pend on the composition of the solution, i.e., on its ionicstrength and on dissolved organics. In general, the solubil-ity of a gas decreases with increasing salinity (salting out).However, a salting in effect has also been observed, e.g.,for the effective Henrys law constant of glyoxal (Kampfet al., 2013; Kurtn et al., 2014). The effect can be describedwith the Sechenov equation (Setschenow, 1889)1. There aremany alternative ways to define the Sechenov equation, de-pending on how the aqueous-phase composition is described(based on concentration, molality, or molar fraction) andwhich variant of the Henrys law constant is used. Describingthe solution in terms of molality is preferred because mo-lality is invariant to temperature and to the addition of drysalt to the solution (see Sander, 1999 for details). Thus, theSechenov equation can be written as

log

(H

bp

0

H bp

)= ks b(salt), (28)

where H bp0 = Henrys law constant in pure water, Hbp

=

Henrys law constant in the salt solution, ks = molality-basedSechenov constant, and b(salt) = molality of the salt.

Since the atmosphere contains very dilute cloud dropletsas well as highly concentrated aerosols, adequate valuesof Henrys law constants should be used. Unfortunately,Sechenov parameters are unknown for many species. A listof some available data is presented in Sect. 3.2.4.

1Note that the scientific transliteration from Cyrillic isSechenov, but the original article was written in German and usedthe German transliteration Setschenow.



3 Values of Henrys law constants

3.1 The data compilation

The compilation of Henrys law constants is presented in Ta-ble 6, and it is also available online at http://www.henrys-law.org. It contains Henrys law constants for inorganic andorganic species of potential importance in environmentalchemistry. Most data were measured at ambient condi-tions (between 20 C and 25 C and 1 atm). Data at hightemperatures are excluded or (if possible) extrapolated toT = 298.15 K. All data refer to aqueous solutions; octanoland other solvents are not included. The constants refer topure water as the solvent unless noted otherwise (e.g., sea-water).

Inorganic substances are sorted according to the elementsthey contain. The order chosen is O, H, N, F, Cl, Br, I, S,rare gases, and others. Compounds with several of these ele-ments are put into the last of the applicable sections. For ex-ample, nitryl chloride, which contains O, N, and Cl, is listedin the Cl section. Carbon-containing compounds (includingCO and CO2) are sorted somewhat arbitrarily by increasingchain length and complexity. Heteroatoms (O, N, F, Cl, Br,I, S, P, etc.) are sorted in the same order as inorganic com-pounds. The table contains the following groups of species:

Inorganic species 4408Oxygen (O) . . . . . . . . . . . . . . . . . . . . . 4408Hydrogen (H) . . . . . . . . . . . . . . . . . . . . 4408Nitrogen (N) . . . . . . . . . . . . . . . . . . . . . 4409Fluorine (F) . . . . . . . . . . . . . . . . . . . . . 4412Chlorine (Cl) . . . . . . . . . . . . . . . . . . . . 4412Bromine (Br) . . . . . . . . . . . . . . . . . . . . 4414Iodine (I) . . . . . . . . . . . . . . . . . . . . . . 4415Sulfur (S) . . . . . . . . . . . . . . . . . . . . . . 4416Rare gases (He, Ne, Ar, Kr, Xe, Rn) . . . . . . . . 4417Other elements (B, Se, P, As, Hg) . . . . . . . . . 4418

Hydrocarbons (C, H) 4419Alkanes . . . . . . . . . . . . . . . . . . . . . . . 4419Cycloalkanes . . . . . . . . . . . . . . . . . . . . 4439Aliphatic alkenes and cycloalkenes . . . . . . . . . 4443Aliphatic alkynes . . . . . . . . . . . . . . . . . . 4451Mononuclear aromatics . . . . . . . . . . . . . . . 4454Terpenes and terpenoids . . . . . . . . . . . . . . . 4470Polynuclear aromatics . . . . . . . . . . . . . . . . 4472

Organic species with oxygen (O) 4487Carbon oxides . . . . . . . . . . . . . . . . . . . . 4488Alcohols (ROH) . . . . . . . . . . . . . . . . . . . 4488Polyols (R(OH)n) . . . . . . . . . . . . . . . . . . 4521Peroxides (ROOH) and peroxy radicals (ROO) . . . 4527Aldehydes (RCHO) . . . . . . . . . . . . . . . . . 4528Ketones (RCOR) . . . . . . . . . . . . . . . . . . 4535

Carboxylic acids (RCOOH) and peroxy carboxylicacids (RCOOOH) . . . . . . . . . . . . . . . 4549

Esters (RCOOR) . . . . . . . . . . . . . . . . . . 4557Ethers (ROR) . . . . . . . . . . . . . . . . . . . . 4579Heterocycles with oxygen . . . . . . . . . . . . . . 4587Oxidized terpenoids . . . . . . . . . . . . . . . . . 4590Miscellaneous . . . . . . . . . . . . . . . . . . . . 4591

Organic species with nitrogen (N) 4607Amines (C, H, N) . . . . . . . . . . . . . . . . . . 4607Heterocycles with nitrogen (C, H, N) . . . . . . . . 4622Nitriles (C, H, N) . . . . . . . . . . . . . . . . . . 4631Amines, amides, amino acids (C, H, O, N) . . . . . 4634Heterocycles with oxygen and nitrogen (C, H, O, N) 4649Nitrates (RONO2) . . . . . . . . . . . . . . . . . . 4661Nitriles with oxygen (C, H, O, N) . . . . . . . . . . 4666Nitro compounds (RNO2) . . . . . . . . . . . . . . 4667

Organic species with fluorine (F) 4680Fluorine (F) . . . . . . . . . . . . . . . . . . . . . 4680

Organic species with chlorine (Cl) 4697Chlorocarbons (C, H, Cl) . . . . . . . . . . . . . . 4697Polychlorinated biphenyls (PCBs) . . . . . . . . . 4740Oxygenated chlorocarbons (C, H, O, Cl) . . . . . . 4782Polychlorinated diphenyl ethers (PCDEs) . . . . . 4800Polychlorinated dibenzofuranes (PCDFs) . . . . . . 4809Polychlorinated dibenzo-p-dioxins (PCDDs) . . . . 4821Chlorocarbons with nitrogen (C, H, O, N, Cl) . . . 4830Chlorofluorocarbons (C, H, O, N, F, Cl) . . . . . . 4851

Organic species with bromine (Br) 4863Bromocarbons (C, H, O, N, Br) . . . . . . . . . . . 4863Polybrominated diphenyl ethers (PBDEs) . . . . . 4879Bromine, chlorine and fluorine (C, H, N, O, F, Cl,

Br) . . . . . . . . . . . . . . . . . . . . . . . 4883

Organic species with iodine (I) 4891Iodocarbons (C, H, O, Cl, I) . . . . . . . . . . . . . 4891

Organic species with sulfur (S) 4895Sulfur (C, H, O, N, Cl, S) . . . . . . . . . . . . . . 4895

Organic species with phosphorus (P) 4927Phosphorus (C, H, O, N, Cl, Br, S, P) . . . . . . . . 4927

Organic species with other elements 4943Sodium (Na) . . . . . . . . . . . . . . . . . . . . . 4943Aluminum (Al) . . . . . . . . . . . . . . . . . . . 4944Silicon (Si) . . . . . . . . . . . . . . . . . . . . . 4944Zinc (Zn) . . . . . . . . . . . . . . . . . . . . . . 4946Arsenic (Sn) . . . . . . . . . . . . . . . . . . . . . 4947Selenium (Se) . . . . . . . . . . . . . . . . . . . . 4947Tin (Sn) . . . . . . . . . . . . . . . . . . . . . . . 4947Mercury (Hg) . . . . . . . . . . . . . . . . . . . . 4948Lead (Pb) . . . . . . . . . . . . . . . . . . . . . . 4950


http://www.henrys-law.orghttp://www.henrys-law.org


The first column of the table shows the systematic name,the chemical formula, other names (trivial or alternativenames, if any), and the CAS registry number (in squarebrackets).

The column labeled H cp contains the Henrys law solu-bility constants as defined in Eq. (1), rounded to two signifi-cant digits and given in the unit mol m3 Pa1.

The column labeled dlnH/d(1/T ) contains the tem-perature dependence of the Henry solubility as defined inEq. (19), rounded to two significant digits and given in theunit K. If the term 1solH is temperature dependent, the valueof d lnH/d(1/T ) is calculated at T = 298.15 K.

For each table entry the column labeled type denoteshow the Henrys law constant was obtained in the given ref-erence. Literature reviews are usually the most reliable, fol-lowed by original publications of experimental determina-tions of H . Other data has to be treated more carefully. Thetypes listed here are ordered roughly in decreasing reliability:

L The cited paper is a literature review.

M Original publication of a measured value.

V Vapor pressure of the pure substance divided by aque-ous solubility (sometimes called VP/AS).

R The cited paper presents a recalculation of previouslypublished material (e.g., extrapolation to a differenttemperature or concentration range).

T Thermodynamical calculation (1solG=RT lnH , seeSander (1999) for details).

X The original paper was not available for this study. Thedata listed here were found in a secondary source.

C The paper is a citation of a reference which I could notobtain (personal communication, PhD theses, grey liter-ature).

Q The value was calculated with the quantitativestructureproperty relationship (QSPR) or a similar the-oretical method, see Sect. 3.2.3.

E The value is an estimate. Estimates are only listed if noreliable measurements are available for that compound.

? The cited paper does not clearly state how the value wasobtained.

W The value is probably incorrect (wrong), as explainedin the note.

In some cases there might be good agreement between dif-ferent authors. However, if the original work they refer to isnot known, one has to be careful when evaluating the reli-ability. It is possible that they were recalculating data fromthe same source. The similarity in that case would not bedue to independent investigations. The table in the pdf of this

document has been hyperlinked to the appropriate notes, andthrough the CAS numbers to the NIST Chemistry WebBook.

The version number of the current compilation is4.0. Based upon version 3 (still available at http://www.henrys-law.org), the list has been expanded substantially(from 2288 to 17350 constants and from 913 to 4632species). In addition, all values have been recalculated usinga system of Fortran 90 modules. Due to different precisionsand rounding errors, the last digit of the Henrys law con-stants has changed in a few cases. Also, it was possible toobtain a few more articles from the grey literature (academicdocuments not formally published). In these cases, the orig-inal data are used now instead of those cited by others. In afew cases, this also resulted in slightly different values.

3.2 Further sources of information

3.2.1 Review articles

Several reviews about Henrys law have been published,starting with Markham and Kobe (1941), up to more re-cent publications such as Wilhelm et al. (1977), Mackay andShiu (1981), Staudinger and Roberts (1996), Staudinger andRoberts (2001), Fogg and Sangster (2003), and Sander et al.(2011). Practical guidance on the use of Henrys law has beenpublished by Smith and Harvey (2007).

Experimental methods to obtain Henrys law constants aswell as indirect (theoretical) methods have been describedand compared by several authors. Only a brief summary ofsome articles is given here. For details, the reader is referredto the original publications: Battino and Clever (1966, mis-cellaneous methods, partially of historical interest), Betterton(1992, head-space method, bubble column method, thermo-dynamic cycles, calculation from vapor pressure and solu-bility, linear correlations), Turner et al. (1996, static meth-ods, mechanical recirculation methods, separate measure-ment of solubility and pure species vapor pressure, ebulliom-etry, perturbation chromatography), Staudinger and Roberts(1996, batch air stripping, concurrent flow technique, equi-librium partitioning in closed systems (EPICS), calcula-tion via quantitative propertyproperty relationship (QPPR),quantitative structureproperty relationship (QSPR), uni-versal quasi-chemical functional group activity coefficients(UNIFAC)), Brennan et al. (1998, comparison of predic-tive methods), Sander (1999, QPPR, QSPR, thermodynamiccalculations), and Fogg and Sangster (2003, miscellaneousmethods).

3.2.2 Internet

The following websites provide Henrys law constants:

The NIST Chemistry WebBook at http://webbook.nist.gov/chemistry.

The Pesticide Properties Database (PPD) at http://www.ars.usda.gov/Services/docs.htm?docid=14199.


http://www.henrys-law.orghttp://www.henrys-law.orghttp://webbook.nist.gov/chemistryhttp://webbook.nist.gov/chemistryhttp://www.ars.usda.gov/Services/docs.htm?docid=14199http://www.ars.usda.gov/Services/docs.htm?docid=14199


The Screening Information Data Set (SIDS) of theUnited Nations Environment Programme (UNEP)at http://www.chem.unep.ch/irptc/sids/OECDSIDS/INDEXCHEMIC.htm provide data sets includingHenrys law constants for many species.

A program to calculate Henrys law constants is avail-able at http://www.epa.gov/opptintr/exposure/pubs/episuitedl.htm.

Vaporliquid equilibrium data from the DortmundData Bank at http://www.ddbst.com/en/EED/VLE/VLEindex.php.

The Hazardous Substances Data Bank (HSDB), in-cluded in the TOXNET database at http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm.

Effective Henrys law constants calculated by Hodzicet al. (2014) are available at https://www2.acd.ucar.edu/modeling/gecko.

3.2.3 QSPR

Several publications apply the QSPR method (Staudingerand Roberts, 1996) to obtain theoretical predictions forHenrys law constants: Pierotti et al. (1959), Deno andBerkheimer (1960), Nirmalakhandan and Speece (1988b),Dunnivant and Elzerman (1988), Brunner et al. (1990),Sukuzi et al. (1992), Russell et al. (1992), Sukuzi et al.(1992), Brennan et al. (1998), English and Carroll (2001),Dearden and Schrmann (2003), Yaffe et al. (2003), Khneet al. (2005), Modarresi et al. (2007), and Raventos-Duranet al. (2010).

3.2.4 Salt solutions

Some information about Henrys law constants for salt so-lutions (Sechenov constants, see Sect. 2.8) can be found inthese publications: McDevit and Long (1952, benzene), Gor-don and Thorne (1967a) and Gordon and Thorne (1967b,naphthalene), Meadows and Spedding (1974, CO), Zafiriouand McFarland (1980, NO), Przyjazny et al. (1983, organicsulfur compounds), Hunter-Smith et al. (1983, halocarbons),Almeida et al. (1983, naphthols), Sanemasa et al. (1984, ben-zene, alkylbenzenes), Dacey et al. (1984, dimethyl sulfide),Wisegarver and Cline (1985, chlorofluorocarbons), Johnsonand Harrison (1986, OCS), Zhou and Mopper (1990, aldehy-des, ketones), Kames and Schurath (1992, organic nitrates),Benkelberg et al. (1995, propanone, ethanal, ethane nitrile),De Bruyn et al. (1995b, organic sulfur compounds), Mooreet al. (1995, halogenated methanes), Dewulf et al. (1995,halocarbons, aromatics), Wong and Wang (1997, dimethylsulfide), Xie et al. (1997, organic compounds), Peng andWan (1998, halocarbons, aromatics), Moore (2000, halocar-bons), Ni et al. (2000, organic compounds), Bullock and Teja(2003, methanol), Endo et al. (2012, alkanals, alkanones,

nitroalkanes, alkylbenzenes, fluorinated alcohols, additionalcompounds with various polar functional groups), Yu and Yu(2013, theoretical predictions), and Wang et al. (2014, or-ganic compounds).

4 The electronic supplement

The Supplement contains several files with additional infor-mation about the compiled Henrys law constants. It includesa README file with a detailed description. Here, only a shortsummary is given:

The files henry_*.f90 contain the Fortran 90 codethat was used to convert the values from the origi-nal publications into the uniform format with the unitmol m3 Pa1. The code and the comments in the codecan be used to double-check that the conversion wasdone correctly.

If the original publications contained measurements atdifferent temperatures, the Fortran code often containsall individual data points, not just the regression line thatwas used to show the temperature dependence in Ta-ble 6. In addition, the supplement contains plots show-ing the data points as well as the regression lines ac-cording to Eq. (19).

If the Henrys law constants are needed in electronicform, it is cumbersome to extract them from the pdf ofthis article. Therefore, the supplement contains decla-rations of the Henrys law constants (H cp, H cc, H xp,H bp, KpcH , K

pxH , K

ccH , and ) in Fortran 90 syntax.

5 Summary and outlook

A comprehensive compilation of Henrys law constants hasbeen presented. The collection, which is also available athttp://www.henrys-law.org, will be continuously maintained,updated, and extended in the future. If necessary, errata willalso be posted on the web page. In addition to providing asource of information, I hope that this work will help to iden-tify gaps in our current knowledge and stimulate additionalresearch projects. In particular, it seems that even for somewell-known chemicals like HCl, Br2, and BrCl, there is largeuncertainty in the value of Henrys law constants. I continueto welcome new information about measurements of Henryslaw constants for inclusion in the table.


http://www.chem.unep.ch/irptc/sids/OECDSIDS/INDEXCHEMIC.htmhttp://www.chem.unep.ch/irptc/sids/OECDSIDS/INDEXCHEMIC.htmhttp://www.epa.gov/opptintr/exposure/pubs/episuitedl.htmhttp://www.epa.gov/opptintr/exposure/pubs/episuitedl.htmhttp://www.ddbst.com/en/EED/VLE/VLEindex.phphttp://www.ddbst.com/en/EED/VLE/VLEindex.phphttp://toxnet.nlm.nih.gov/newtoxnet/hsdb.htmhttp://toxnet.nlm.nih.gov/newtoxnet/hsdb.htmhttps://www2.acd.ucar.edu/modeling/geckohttps://www2.acd.ucar.edu/modeling/geckohttp://www.henrys-law.org


Table 6: Henrys law constants for water as solvent

SubstanceFormula(Other name(s))[CAS registry number]

H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

Inorganic species

Oxygen (O)

oxygen 1.2105 1700 Warneck and Williams (2012) LO2 1.310

5 1500 Sander et al. (2011) L[7782-44-7] 1.3105 1500 Sander et al. (2006) L

1.3105 1400 Fernndez-Prini et al. (2003) L 11.3105 1500 Battino et al. (1983) L1.3105 1500 Wilhelm et al. (1977) L1.3105 1400 Rettich et al. (1981) M1.3105 1400 Benson et al. (1979) M1.2105 1800 Carpenter (1966) M1.3105 1200 Winkler (1891b) M 21.3105 1500 Battino (1981) X 3, 41.3105 1500 Battino (1981) X 51.2105 1700 Dean (1992) ? 61.3105 Seinfeld (1986) ? 7

ozone 1.0104 2800 Sander et al. (2011) LO3 1.010

4 2800 Sander et al. (2006) L[10028-15-6] 1.1104 2400 Warneck (2003) L

1.3104 2000 Wilhelm et al. (1977) L1.1104 2300 Gershenzon et al. (2001) M1.2104 1400 Sotelo et al. (1989) M1.1104 2300 Kosak-Channing and Helz (1983) M

Roth and Sullivan (1981) M 81.3104 2000 Briner and Perrottet (1939) M1.1104 2600 Chameides (1984) T1.0106 Battino (1981) X 5, 91.2104 Perry and Chilton (1973) X 109.3105 2500 Seinfeld (1986) ? 79.3105 2500 Hoffmann and Jacob (1984) ? 7

Hydrogen (H)

hydrogen atom 2.6106 Sander et al. (2011) LH 2.6106 Sander et al. (2006) L[12385-13-6]

hydrogen 7.8106 530 Fernndez-Prini et al. (2003) L 1H2 7.710

6 490 Wilhelm et al. (1977) L[1333-74-0] 7.9106 500 Winkler (1891a) M

7.7106 Hine and Weimar Jr. (1965) R7.7106 490 Young (1981a) X 37.7106 500 Young (1981a) X 57.7106 640 Dean (1992) ? 6

deuterium 7.9106 780 Young (1981a) X 5D2[7782-39-0]


http://webbook.nist.gov/cgi/cbook.cgi?ID=7782-44-7http://webbook.nist.gov/cgi/cbook.cgi?ID=10028-15-6http://webbook.nist.gov/cgi/cbook.cgi?ID=12385-13-6http://webbook.nist.gov/cgi/cbook.cgi?ID=1333-74-0http://webbook.nist.gov/cgi/cbook.cgi?ID=7782-39-0


Table 6: Henrys law constants for water as solvent (. . . continued)


H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

hydroxyl radical 3.8101 Sander et al. (2011) LOH 3.8101 Sander et al. (2006) L[3352-57-6] 2.9101 4300 Hanson et al. (1992) T

3.2101 Mozurkewich (1986) T2.9101 3100 Berdnikov and Bazhin (1970) T 112.5101 Lelieveld and Crutzen (1991) C2.0 Lelieveld and Crutzen (1991) C8.9101 Lelieveld and Crutzen (1991) C2.5101 5300 Jacob (1986) C 12

hydroperoxy radical 6.8 Sander et al. (2011) LHO2 6.8 Sander et al. (2006) L[3170-83-0] 5.7101 Rgimbal and Mozurkewich (1997) R

3.8101 5900 Hanson et al. (1992) T8.9101 Weinstein-Lloyd and Schwartz (1991) T8.9101 Chameides (1984) T1.2101 Schwartz (1984) T 134.6101 4800 Berdnikov and Bazhin (1970) T 11

6600 Jacob (1986) E 14

hydrogen peroxide 9.1102 6600 Warneck and Williams (2012) LH2O2 8.310


9.8102 6100 Fogg and Sangster (2003) L 151.1103 7000 Huang and Chen (2010) M8.2102 7400 OSullivan et al. (1996) M9.9102 6300 Lind and Kok (1994) M 16

Staffelbach and Kok (1993) M 178.5102 6500 Zhou and Lee (1992) M6.7102 7900 Hwang and Dasgupta (1985) M1.4103 Yoshizumi et al. (1984) M 99.6102 6600 Chameides (1984) T7.0102 7000 Martin and Damschen (1981) T6.4101 Hilal et al. (2008) Q7.0102 7300 Seinfeld (1986) ? 77.0102 7300 Hoffmann and Jacob (1984) ? 7

Pandis and Seinfeld (1989) W 18

Nitrogen (N)

nitrogen 6.4106 1600 Warneck and Williams (2012) LN2 6.410


6.5106 1200 Fernndez-Prini et al. (2003) L 16.5106 1200 Battino et al. (1984) L6.4106 1300 Wilhelm et al. (1977) L5.4106 Steward et al. (1973) L 196.6106 1200 Rettich et al. (1984) M6.5106 1400 Winkler (1891b) M 26.5106 1200 Battino (1982) X 56.3106 1600 Dean (1992) ? 6


http://webbook.nist.gov/cgi/cbook.cgi?ID=3352-57-6http://webbook.nist.gov/cgi/cbook.cgi?ID=3170-83-0http://webbook.nist.gov/cgi/cbook.cgi?ID=7722-84-1http://webbook.nist.gov/cgi/cbook.cgi?ID=7727-37-9




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

ammonia 5.9101 4200 Sander et al. (2011) LNH3 5.910

1 4200 Sander et al. (2006) L[7664-41-7] 5.8101 4400 Yoo et al. (1986) L

6.0101 4200 Edwards et al. (1978) L1.0101 1500 Wilhelm et al. (1977) L2.8101 3200 Shi et al. (1999) M6.0101 4200 Clegg and Brimblecombe (1989) M5.5101 4100 Dasgupta and Dong (1986) M7.7101 Holzwarth et al. (1984) M7.4101 3700 Hales and Drewes (1979) M5.6101 4200 Dasgupta and Dong (1986) T5.7101 4100 Chameides (1984) T6.1101 Van Krevelen et al. (1949) X 202.7101 2100 Dean (1992) ? 65.7101 Abraham et al. (1990) ?6.1101 4100 Seinfeld (1986) ? 75.8101 4100 Hoffmann and Jacob (1984) ? 75.2101 Bone et al. (1983) ? 21

hydrazoic acid 1.2101 3800 Sander et al. (2011) L 22HN3 9.810

2 3100 Wilhelm et al. (1977) L[7782-79-8] 1.2101 3700 Betterton and Robinson (1997) M

9.9102 Templeton and King (1971) M 23

hydrazine 1.6101 HSDB (2015) VH4N2[302-01-2]

dinitrogen monoxide 2.4104 2700 Warneck and Williams (2012) LN2O 2.410

4 2600 Sander et al. (2011) L(nitrous oxide; laughing gas) 2.4104 2600 Sander et al. (2006) L[10024-97-2] 2.4104 2600 Wilhelm et al. (1977) L

1.8104 Steward et al. (1973) L 192.5104 2700 Weiss and Price (1980) M2.4104 Joosten and Danckwerts (1972) M2.4104 2500 Young (1981b) X 32.4104 2600 Young (1981b) X 5, 24

3600 Khne et al. (2005) Q2700 Khne et al. (2005) ?

2.4104 2800 Dean (1992) ? 62.5104 Seinfeld (1986) ? 72.5104 Liss and Slater (1974) ?

nitrogen monoxide 1.9105 1600 Warneck and Williams (2012) LNO 1.9105 1600 Sander et al. (2011) L 25(nitric oxide) 1.9105 1600 Sander et al. (2006) L 26[10102-43-9] 1.9105 1500 Schwartz and White (1981) L

1.3105 Zafiriou and McFarland (1980) M 272.3105 Komiyama and Inoue (1980) M 281.9105 1500 Komiyama and Inoue (1978) M1.9105 1600 Winkler (1901) M






H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

1.9105 1400 Young (1981b) X 3, 291.9105 1400 Young (1981b) X 51.9105 1700 Loomis (1928) C


1.9105 1700 Dean (1992) ? 61.9105 Seinfeld (1986) ? 71.9105 Andrew and Hanson (1961) ?

Wilhelm et al. (1977) W 30

nitrogen dioxide 9.9105 Warneck and Williams (2012) LNO2 1.210

4 2400 Sander et al. (2011) L[10102-44-0] 1.4104 Sander et al. (2006) L

1.2104 Schwartz and White (1981) L1.4104 Cheung et al. (2000) M6.9105 Lee and Schwartz (1981) M 312.3104 Komiyama and Inoue (1980) M 281.2104 2500 Chameides (1984) T3.4104 1800 Berdnikov and Bazhin (1970) T 119.9105 Pandis and Seinfeld (1989) ? 329.9105 Seinfeld (1986) ? 74.0104 Andrew and Hanson (1961) ?

nitrogen trioxide 3.8104 Sander et al. (2011) LNO3 3.810

4 Sander et al. (2006) L(nitrate radical) 1.8102 Thomas et al. (1998) M[12033-49-7] 5.9103 Rudich et al. (1996) M 33

1.2101 1900 Chameides (1986) T3.4104 2000 Berdnikov and Bazhin (1970) T 11

Jacob (1986) E 34Seinfeld and Pandis (1998) ? 35

dinitrogen trioxide 5.9103 Schwartz and White (1981) LN2O3 2.510

1 Komiyama and Inoue (1978) M[10544-73-7]

dinitrogen tetroxide 1.4102 Schwartz and White (1981) LN2O4 2.010

2 Komiyama and Inoue (1980) M 28[10544-72-6] 1.6102 3500 Komiyama and Inoue (1978) M

3.1102 Andrew and Hanson (1961) M1.3102 1100 Kramers et al. (1961) M

dinitrogen pentoxide 2.1102 3400 Fried et al. (1994) T 36N2O5 Sander and Crutzen (1996) E 37(nitric anhydride) Jacob (1986) E 37[10102-03-1]

hydroxylamine 1.4103 HSDB (2015) Q 38H3NO[7803-49-8]


http://webbook.nist.gov/cgi/cbook.cgi?ID=10102-44-0http://webbook.nist.gov/cgi/cbook.cgi?ID=12033-49-7http://webbook.nist.gov/cgi/cbook.cgi?ID=10544-73-7http://webbook.nist.gov/cgi/cbook.cgi?ID=10544-72-6http://webbook.nist.gov/cgi/cbook.cgi?ID=10102-03-1http://webbook.nist.gov/cgi/cbook.cgi?ID=7803-49-8




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

nitrous acid 4.8101 4800 Schwartz and White (1981) LHNO2 4.710

1 4900 Becker et al. (1998) M[7782-77-6] 4.7101 4900 Becker et al. (1996) M

4.8101 4900 Park and Lee (1988) M3.7101 9000 Komiyama and Inoue (1978) M4.7101 4700 Martin (1984) T4.8101 4800 Chameides (1984) T4.8101 Seinfeld (1986) ? 7

nitric acid 8.8102 Durham et al. (1981) VHNO3 2.110

3 8700 Lelieveld and Crutzen (1991) R 39[7697-37-2] Clegg and Brimblecombe (1990) T 40

Brimblecombe and Clegg (1989) T 41Brimblecombe and Clegg (1988) T 42

2.6104 8700 Chameides (1984) T2.1103 Schwartz and White (1981) T2.1103 Pandis and Seinfeld (1989) ? 432.1103 Seinfeld (1986) ? 73.4103 8800 Hoffmann and Jacob (1984) ? 7

pernitric acid 3.9101 8400 Leu and Zhang (1999) LHNO4 3.910

1 Amels et al. (1996) M[26404-66-0] 1.2102 6900 Rgimbal and Mozurkewich (1997) T

1.4102 Warneck (1999) C2.0102 0 Jacob et al. (1989) C

Mller and Mauersberger (1992) E 44

Fluorine (F)

fluorine atom 2.0104 400 Berdnikov and Bazhin (1970) T 11F[14762-94-8]

hydrogen fluoride 1.3102 Fredenhagen and Wellmann (1932a) MHF Brimblecombe and Clegg (1989) T 45[7664-39-3] Brimblecombe and Clegg (1988) T 42

difluorine monoxide 2.9105 Kruis and May (1962) CF2O[7783-41-7]

nitrogen trifluoride 7.9106 1900 Sander et al. (2011) LNF3 7.910

6 1900 Wilhelm et al. (1977) L[7783-54-2] 8.2106 1900 Ashton et al. (1968) M

dinitrogen tetrafluoride 8.4106 2500 Sander et al. (2011) LN2F4 8.410

6 2500 Wilhelm et al. (1977) L(tetrafluorohydrazine)[10036-47-2]

Chlorine (Cl)


http://webbook.nist.gov/cgi/cbook.cgi?ID=7782-77-6http://webbook.nist.gov/cgi/cbook.cgi?ID=7697-37-2http://webbook.nist.gov/cgi/cbook.cgi?ID=26404-66-0http://webbook.nist.gov/cgi/cbook.cgi?ID=14762-94-8http://webbook.nist.gov/cgi/cbook.cgi?ID=7664-39-3http://webbook.nist.gov/cgi/cbook.cgi?ID=7783-41-7http://webbook.nist.gov/cgi/cbook.cgi?ID=7783-54-2http://webbook.nist.gov/cgi/cbook.cgi?ID=10036-47-2




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

chlorine (molecular) 9.2104 2000 Sander et al. (2011) LCl2 9.210

4 2000 Sander et al. (2006) L[7782-50-5] 9.0104 2500 Wilhelm et al. (1977) L

3.8102 3100 Martikainen et al. (1987) M 467.5104 Lin and Pehkonen (1998) R6.1104 3200 Brian et al. (1962) R6.1104 2800 Wagman et al. (1982) T9.3104 2100 Young (1983) X 59.1104 Bartlett and Margerum (1999) ? 7, 479.2104 2300 Dean (1992) ? 6

Kruis and May (1962) ? 48

chlorine atom 2.3102 Sander et al. (2011) LCl 2.3102 Sander et al. (2006) L[22537-15-1] 2.0103 Mozurkewich (1986) T 49

1.5104 1500 Berdnikov and Bazhin (1970) T 11

hydrogen chloride Clegg and Brimblecombe (1986) L 50HCl 1.5101 Chen et al. (1979) R[7647-01-0] Carslaw et al. (1995) T 51

Brimblecombe and Clegg (1989) T 52Brimblecombe and Clegg (1988) T 42

1.1102 2300 Marsh and McElroy (1985) TWagman et al. (1982) T 53

2.0101 Graedel and Goldberg (1983) CSeinfeld and Pandis (1998) ? 35

1.9101 600 Dean (1992) ? 62.5101 Seinfeld (1986) ? 77.2 2000 Pandis and Seinfeld (1989) W 54

hypochlorous acid 6.5 5900 Sander et al. (2011) LHOCl 6.5 5900 Sander et al. (2006) L[7790-92-3] 6.5 5900 Huthwelker et al. (1995) L

9.1 Blatchley III et al. (1992) M 94.7 1600 Hanson and Ravishankara (1991) M 556.0 4900 Holzwarth et al. (1984) M 562.6 5100 Wagman et al. (1982) T5.4 Hilal et al. (2008) Q

perchloric acid 9.9103 Jaegl et al. (1996) E 57HClO4[7601-90-3]

monochlorine monoxide 7.0103 Sander et al. (2011) LClO 7.0103 Sander et al. (2006) L[14989-30-1]

dichlorine monoxide 1.7101 1800 Sander et al. (2011) LCl2O 1.710


1.7101 1700 Young (1983) X 5


http://webbook.nist.gov/cgi/cbook.cgi?ID=7782-50-5http://webbook.nist.gov/cgi/cbook.cgi?ID=22537-15-1http://webbook.nist.gov/cgi/cbook.cgi?ID=7647-01-0http://webbook.nist.gov/cgi/cbook.cgi?ID=7790-92-3http://webbook.nist.gov/cgi/cbook.cgi?ID=7601-90-3http://webbook.nist.gov/cgi/cbook.cgi?ID=14989-30-1http://webbook.nist.gov/cgi/cbook.cgi?ID=7791-21-1




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

chlorine dioxide 1.0102 3500 Sander et al. (2011) LClO2 1.010


1.0102 3300 Young (1983) X 39.9103 3300 Young (1983) X 5, 24

nitrosyl chloride >4.9104 Scheer et al. (1997) MNOCl[2696-92-6]

nitryl chloride 4.5104 Frenzel et al. (1998) EClNO2 2.410

4 Behnke et al. (1997) E 58[13444-90-1] 3.9104 Roberts et al. (2008) ?

chlorine nitrate Sander and Crutzen (1996) E 37ClNO3[14545-72-3]

chloramine 8.6101 6000 Sander et al. (2011) LNH2Cl 8.610

1 6000 Sander et al. (2006) L(chloramide) 9.2101 4800 Holzwarth et al. (1984) M[10599-90-3]

dichloramine 2.9101 4200 Sander et al. (2011) LNHCl2 2.910

1 4200 Sander et al. (2006) L(chlorimide) 2.8101 4200 Holzwarth et al. (1984) M[3400-09-7]

nitrogen trichloride 9.9104 4100 Sander et al. (2011) LNCl3 9.910

4 4100 Sander et al. (2006) L[10025-85-1] 9.9104 4100 Holzwarth et al. (1984) M

Bromine (Br)

bromine (molecular) 7.2103 4400 Sander et al. (2011) LBr2 7.210

3 4400 Sander et al. (2006) L[7726-95-6] 1.8102 3600 Dubik et al. (1987) M 59

6.8103 Hill et al. (1968) M9.6103 Jenkins and King (1965) M 97.0103 4100 Kelley and Tartar (1956) M7.8103 3800 Winkler (1906) M7.9103 3600 Winkler (1899) M8.3103 4100 Fogg and Sangster (2003) V7.9103 3900 Jenkins and King (1965) R7.2103 4000 Wagman et al. (1982) T7.6103 Bartlett and Margerum (1999) ? 7, 477.5103 4100 Dean (1992) ? 6

bromine atom 1.2102 Mozurkewich (1986) T 49Br 3.4104 1800 Berdnikov and Bazhin (1970) T 11[10097-32-2]


http://webbook.nist.gov/cgi/cbook.cgi?ID=10049-04-4http://webbook.nist.gov/cgi/cbook.cgi?ID=2696-92-6http://webbook.nist.gov/cgi/cbook.cgi?ID=13444-90-1http://webbook.nist.gov/cgi/cbook.cgi?ID=14545-72-3http://webbook.nist.gov/cgi/cbook.cgi?ID=10599-90-3http://webbook.nist.gov/cgi/cbook.cgi?ID=3400-09-7http://webbook.nist.gov/cgi/cbook.cgi?ID=10025-85-1http://webbook.nist.gov/cgi/cbook.cgi?ID=7726-95-6http://webbook.nist.gov/cgi/cbook.cgi?ID=10097-32-2




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

hydrogen bromide Carslaw et al. (1995) T 60HBr Brimblecombe and Clegg (1989) T 61[10035-10-6] Brimblecombe and Clegg (1988) T 42

Wagman et al. (1982) T 62Chameides and Stelson (1992) ? 63

2.4101 370 Dean (1992) ? 6

hypobromous acid >1.3 Sander et al. (2011) LHOBr >1.3 Sander et al. (2006) L[13517-11-8] >1.9101 Blatchley III et al. (1992) M 9

1.8102 4000 Mozurkewich (1995) T 646.0101 Frenzel et al. (1998) E9.1101 Vogt et al. (1996) E

Fickert (1998) W 65

nitryl bromide 3.0103 Frenzel et al. (1998) EBrNO2[13536-70-4]

bromine nitrate Sander and Crutzen (1996) E 37BrNO3[40423-14-1]

bromine chloride 9.7103 5600 Sander et al. (2011) LBrCl 9.7103 5600 Sander et al. (2006) L[13863-41-7] 4.1 Palmer et al. (1985) CHOI Thompson and Zafiriou (1983) E 73[14332-21-9]


http://webbook.nist.gov/cgi/cbook.cgi?ID=10035-10-6http://webbook.nist.gov/cgi/cbook.cgi?ID=13517-11-8http://webbook.nist.gov/cgi/cbook.cgi?ID=13536-70-4http://webbook.nist.gov/cgi/cbook.cgi?ID=40423-14-1http://webbook.nist.gov/cgi/cbook.cgi?ID=13863-41-7http://webbook.nist.gov/cgi/cbook.cgi?ID=7553-56-2http://webbook.nist.gov/cgi/cbook.cgi?ID=14362-44-8http://webbook.nist.gov/cgi/cbook.cgi?ID=10034-85-2http://webbook.nist.gov/cgi/cbook.cgi?ID=14332-21-9




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

iodine chloride 1.1 Wagman et al. (1982) TICl[7790-99-0]

iodine bromide 2.4101 Wagman et al. (1982) TIBr[7789-33-5]

Sulfur (S)

hydrogen sulfide 1.0103 2100 Sander et al. (2011) LH2S 1.010

3 2100 Sander et al. (2006) L[7783-06-4] 1.0103 2000 Fernndez-Prini et al. (2003) L 1

1.0103 2200 Carroll and Mather (1989) L1.0103 2000 Yoo et al. (1986) L1.0103 2100 Edwards et al. (1978) L1.0103 2100 Wilhelm et al. (1977) L9.1104 1700 Rinker and Sandall (2000) M8.6104 2100 De Bruyn et al. (1995b) M1.1103 2300 Suleimenov and Krupp (1994) M9.4104 2300 Barrett et al. (1988) M1.0103 2100 Winkler (1906) M9.6104 2000 Iliuta and Larachi (2007) R1.0103 Hine and Weimar Jr. (1965) R1.0103 1900 Fogg and Young (1988) X 51.0103 2300 Dean (1992) ? 6

Chapoy et al. (2005) W 74

sulfur dioxide 1.3102 2900 Sander et al. (2011) LSO2 1.310

2 2900 Sander et al. (2006) L[7446-09-5] 1.2102 3100 Yoo et al. (1986) L

1.2102 3200 Maahs (1982) L1.2102 3000 Edwards et al. (1978) L1.4102 2800 Wilhelm et al. (1977) L4.0101 St-Pierre et al. (2014) M 751.2102 3100 Johnstone and Leppla (1934) M1.1102 1400 Terraglio and Manganelli (1967) V1.2102 3100 Chameides (1984) T1.3102 2900 Young (1983) X 51.2102 3100 Pandis and Seinfeld (1989) C1.5102 2900 Dean (1992) ? 61.2102 3100 Seinfeld (1986) ? 71.2102 3100 Hoffmann and Jacob (1984) ? 7

sulfur trioxide Sander and Crutzen (1996) E 37SO3[7446-11-9]






H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

sulfuric acid Marti et al. (1997) M 76H2SO4 Ayers et al. (1980) M 77[7664-93-9] Gmitro and Vermeulen (1964) M 78

Clegg et al. (1998) V 791.31013 20000 Hoffmann and Calvert (1985) T2.9107 10000 Ayers (1983) T

sulfur hexafluoride 2.4106 3100 Warneck and Williams (2012) LSF6 2.510

6 2100 Fernndez-Prini et al. (2003) L 1[2551-62-4] 2.4106 2400 Wilhelm et al. (1977) L

2.4106 2900 Bullister et al. (2002) M1.4106 Guitart et al. (1989) M 192.4106 Park et al. (1982) M2.6106 2400 Ashton et al. (1968) M2.2106 Giardino et al. (1988) V


sulfuryl fluoride 8.9105 3100 Cady and Misra (1974) MSO2F2[2699-79-8]

Rare gases (He, Ne, Ar, Kr, Xe, Rn)

helium 3.9106 15 Fernndez-Prini et al. (2003) L 1He 3.8106 83 Abraham and Matteoli (1988) L[7440-59-7] 3.8106 92 Wilhelm et al. (1977) L

3.9106 69 Krause Jr. and Benson (1989) M3.7106 360 Morrison and Johnstone (1954) M3.8106 83 Clever (1979a) X 3, 803.8106 120 Clever (1979a) X 5, 813.7106 440 Dean (1992) ? 63.8106 Abraham et al. (1990) ?

neon 4.5106 430 Fernndez-Prini et al. (2003) L 1Ne 4.4106 470 Abraham and Matteoli (1988) L[7440-01-9] 4.4106 450 Wilhelm et al. (1977) L

4.5106 440 Krause Jr. and Benson (1989) M4.4106 510 Crovetto et al. (1982) M4.5106 530 Morrison and Johnstone (1954) M4.5106 470 Clever (1979a) X 54.5106 640 Dean (1992) ? 64.4106 Abraham et al. (1990) ?

argon 1.4105 1700 Warneck and Williams (2012) LAr 1.4105 1400 Fernndez-Prini et al. (2003) L 1[7440-37-1] 1.4105 1500 Abraham and Matteoli (1988) L

1.4105 1500 Wilhelm et al. (1977) L1.4105 1600 Rettich et al. (1992) M1.4105 1400 Krause Jr. and Benson (1989) M1.4105 Park et al. (1982) M1.4105 1500 Crovetto et al. (1982) M






H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

1.4105 1400 Ashton et al. (1968) M1.4105 1100 Morrison and Johnstone (1954) M1.5105 1400 Winkler (1906) M1.4105 1500 Clever (1980) X 31.4105 1500 Clever (1980) X 51.4105 1700 Dean (1992) ? 61.4105 Abraham et al. (1990) ?

krypton 2.5105 1700 Fernndez-Prini et al. (2003) L 1Kr 2.5105 1900 Abraham and Matteoli (1988) L[7439-90-9] 2.5105 1900 Wilhelm et al. (1977) L

2.0105 Steward et al. (1973) L 192.5105 1800 Krause Jr. and Benson (1989) M2.5105 1900 Crovetto et al. (1982) M2.4105 1500 Morrison and Johnstone (1954) M2.5105 1900 Clever (1979b) X 32.5105 1900 Clever (1979b) X 52.5105 2100 Dean (1992) ? 62.5105 Abraham et al. (1990) ?

xenon 4.4105 2200 Fernndez-Prini et al. (2003) L 1Xe 4.3105 2300 Abraham and Matteoli (1988) L[7440-63-3] 4.2105 2200 Wilhelm et al. (1977) L

3.3105 Steward et al. (1973) L 194.3105 2300 Krause Jr. and Benson (1989) M4.2105 2400 Crovetto et al. (1982) M4.3105 1900 Morrison and Johnstone (1954) M4.3105 2300 Clever (1979b) X 54.9105 2500 Dean (1992) ? 64.3105 Abraham et al. (1990) ?

radon 9.1105 2900 Abraham and Matteoli (1988) LRn 9.2105 2600 Wilhelm et al. (1977) L[10043-92-2] 9.3105 2600 Clever (1979b) X 3

9.2105 2600 Lide and Frederikse (1995) ? 828.3105 3200 Dean (1992) ? 69.1105 Abraham et al. (1990) ?

Other elements (B, Se, P, As, Hg)

boric acid 3.8106 HSDB (2015) VH3BO3[10043-35-3]

selenium hydride 8.3104 1900 Wilhelm et al. (1977) LH2Se 8.110

4 1700 Fogg and Young (1988) X 5[7783-07-5]

phosphorus trihydride 8.1105 2000 Wilhelm et al. (1977) LPH3 5.910

5 3000 Fu et al. (2013) M 83(phosphine)[7803-51-2]






H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

arsenic hydride 8.8105 2100 Wilhelm et al. (1977) LAsH3(arsine)[7784-42-1]

mercury 1.1103 4800 Clever et al. (1985) LHg 1.3103 2700 Andersson et al. (2008) M[7439-97-6] 1.3103 2500 Sanemasa (1975) M

8.7104 Mackay and Leinonen (1975) V1.1103 5700 Glew and Hames (1971) V1.2103 2300 Clever (1987) X 841.2103 Shon et al. (2005) C1.4103 WHO (1990) C 91.4103 Schroeder and Munthe (1998) ? 9, 71.3103 2700 Schroeder and Munthe (1998) ? 71.3103 Petersen et al. (1998) ? 859.2104 Brimblecombe (1986) ? 28

mercury(II) oxide 3.2104 Shon et al. (2005) ? 86HgO 2.71010 Schroeder and Munthe (1998) ? 7[21908-53-2] 1.4104 Petersen et al. (1998) ? 85

mercury dihydroxide 1.3102 4200 WHO (1990) CHg(OH)2 1.310

2 4200 Lindqvist and Rodhe (1985) C

mercury dichloride 1.0103 Severit (1997) M 87HgCl2 1.610

4 Abraham et al. (2008) V[7487-94-7] 4.2104 Abraham et al. (2008) V

1.3104 7400 Kanefke (2008) R2.4105 Shon et al. (2005) C1.4104 5300 WHO (1990) C1.4104 5300 Lindqvist and Rodhe (1985) C4.2104 7400 Abraham et al. (2008) Q 882.7104 Schroeder and Munthe (1998) ? 9, 71.4104 9500 Braun and Dransfeld (1989) ? 896.3102 Iverfeldt and Persson (1985) ? 90

mercury dibromide 1.2103 Abraham et al. (2008) VHgBr2 9.610

2 7400 Kanefke (2008) C[7789-47-1] 4.4103 7100 Abraham et al. (2008) Q 88

2.7104 Hedgecock et al. (2005) ? 915.2101 Iverfeldt and Persson (1985) ? 90

mercury diiodide 5.7101 Abraham et al. (2008) VHgI2 2.010

2 6700 Abraham et al. (2008) Q 88[7774-29-0] 1.9 Iverfeldt and Persson (1985) ? 90

Hydrocarbons (C, H)

Alkanes






H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

methane 1.4105 1900 Warneck and Williams (2012) LCH4 1.410


1.4105 1500 Fernndez-Prini et al. (2003) L 11.4105 1600 Abraham and Matteoli (1988) L1.5105 Mackay and Shiu (1981) L1.4105 1700 Wilhelm et al. (1977) L1.2105 2400 Lekvam and Bishnoi (1997) M1.3105 1400 Reichl (1995) M1.2105 Guitart et al. (1989) M 191.4105 1600 Crovetto et al. (1982) M1.4105 1600 Rettich et al. (1981) M1.3105 1900 Winkler (1901) M1.5105 HSDB (2015) V1.5105 Meylan and Howard (1991) V1.5105 Hine and Mookerjee (1975) V9.2105 Butler and Ramchandani (1935) V1.4105 Hine and Weimar Jr. (1965) R1.4105 1600 Clever and Young (1987) X 31.4105 1600 Clever and Young (1987) X 5, 249.6106 Liss and Slater (1974) C1.3105 Deno and Berkheimer (1960) C2.5105 Hilal et al. (2008) Q

2300 Khne et al. (2005) Q1.6105 Nirmalakhandan et al. (1997) Q2.4105 Meylan and Howard (1991) Q

1700 Khne et al. (2005) ?1.6105 Yaws (1999) ?1.3105 1900 Dean (1992) ? 61.5105 Yaws and Yang (1992) ? 921.4105 Abraham et al. (1990) ?

ethane 1.9105 2400 Sander et al. (2011) LC2H6 1.910

5 2400 Sander et al. (2006) L[74-84-0] 1.9105 2400 Fernndez-Prini et al. (2003) L 1

1.9105 2300 Abraham and Matteoli (1988) L2.0105 Mackay and Shiu (1981) L1.8105 2400 Wilhelm et al. (1977) L2.0105 2200 Reichl (1995) M1.3105 Guitart et al. (1989) M 191.9105 2300 Rettich et al. (1981) M1.9105 2700 Winkler (1901) M2.0105 HSDB (2015) V2.0105 Hine and Mookerjee (1975) V1.0104 Butler and Ramchandani (1935) V1.9105 2300 Hayduk (1982) X 31.9105 2300 Hayduk (1982) X 51.8105 Deno and Berkheimer (1960) C2.0105 Hilal et al. (2008) Q


http://webbook.nist.gov/cgi/cbook.cgi?ID=74-82-8http://webbook.nist.gov/cgi/cbook.cgi?ID=74-84-0




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

2600 Khne et al. (2005) Q2.2105 Nirmalakhandan and Speece (1988a) Q1.1105 Irmann (1965) Q

2500 Khne et al. (2005) ?1.8105 2800 Dean (1992) ? 62.0105 Yaws and Yang (1992) ? 921.9105 Abraham et al. (1990) ?

propane 1.5105 2700 Sander et al. (2011) LC3H8 1.510

5 2700 Sander et al. (2006) L[74-98-6] 1.5105 2800 Abraham and Matteoli (1988) L

1.4105 Mackay and Shiu (1981) L1.5105 2700 Wilhelm et al. (1977) L1.6105 2700 Chapoy et al. (2004) M1.5105 2700 Reichl (1995) M9.7106 Guitart et al. (1989) M 191.4105 HSDB (2015) V1.4105 Hine and Mookerjee (1975) V1.3105 Irmann (1965) V1.5105 2700 Hayduk (1986) X 3, 931.5105 2700 Hayduk (1986) X 51.4105 Deno and Berkheimer (1960) C1.4105 Hilal et al. (2008) Q


2800 Khne et al. (2005) ?1.4105 Yaws and Yang (1992) ? 921.5105 Abraham et al. (1990) ?

butane 1.2105 3100 Sander et al. (2011) L 94C4H10 1.210

5 3100 Sander et al. (2006) L 95[106-97-8] 1.3105 3100 Abraham and Matteoli (1988) L

1.0105 Mackay and Shiu (1981) L1.2105 3100 Wilhelm et al. (1977) L1.3105 2300 Carroll et al. (1997) M8.0106 Guitart et al. (1989) M 191.0105 HSDB (2015) V1.0105 Mackay et al. (2006a) V1.0105 Mackay et al. (1993) V9.6106 Hwang et al. (1992) V1.1105 Hine and Mookerjee (1975) V1.2105 Irmann (1965) V4.8105 Butler and Ramchandani (1935) V1.2105 3000 Hayduk (1986) X 31.2105 3100 Hayduk (1986) X 51.1105 Deno and Berkheimer (1960) C1.2105 Hilal et al. (2008) Q

3300 Khne et al. (2005) Q1.2105 Nirmalakhandan and Speece (1988a) Q


http://webbook.nist.gov/cgi/cbook.cgi?ID=74-98-6http://webbook.nist.gov/cgi/cbook.cgi?ID=106-97-8




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

1.2105 Irmann (1965) Q3300 Khne et al. (2005) ?

1.1105 Yaws and Yang (1992) ? 921.2105 Abraham et al. (1990) ?

2-methylpropane 9.1106 2700 Sander et al. (2011) L 96HC(CH3)3 9.110

6 2700 Sander et al. (2006) L 97(isobutane) 8.3106 Mackay and Shiu (1981) L[75-28-5] 8.0106 2700 Wilhelm et al. (1977) L

1.1104 5100 Mohebbi et al. (2012) M8.3106 HSDB (2015) V8.3106 Mackay et al. (2006a) V8.3106 Mackay et al. (1993) V8.4106 Hine and Mookerjee (1975) V9.7106 Irmann (1965) V2.7105 2400 Hayduk (1986) X 3, 989.2106 2700 Hayduk (1986) X 55.6106 Hilal et al. (2008) Q


2900 Khne et al. (2005) ?8.5106 Yaws and Yang (1992) ? 928.0106 Abraham et al. (1990) ?7.9106 Abraham (1979) ?

pentane 8.0106 3400 Abraham and Matteoli (1988) LC5H12 8.010

6 Mackay and Shiu (1981) L[109-66-0] 1.1105 2300 Jou and Mather (2000) M 99

8.2106 3600 Jnsson et al. (1982) M7.8106 Rytting et al. (1978) M7.8106 Mackay et al. (2006a) V7.8106 Mackay et al. (1993) V8.3106 Eastcott et al. (1988) V7.8106 Amoore and Buttery (1978) V7.9106 Hine and Mookerjee (1975) V

3000 Gill et al. (1976) T 1009.9106 Hilal et al. (2008) Q



2-methylbutane 7.2106 Mackay and Shiu (1981) LC5H12 7.010

6 HSDB (2015) V(isopentane) 7.2106 Mackay et al. (2006a) V[78-78-4] 2.1106 Mackay et al. (1993) V

7.2106 Eastcott et al. (1988) V7.2106 Cabani et al. (1981) V6.4106 Hilal et al. (2008) Q


http://webbook.nist.gov/cgi/cbook.cgi?ID=75-28-5http://webbook.nist.gov/cgi/cbook.cgi?ID=109-66-0http://webbook.nist.gov/cgi/cbook.cgi?ID=78-78-4




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

8.4106 Nirmalakhandan et al. (1997) Q7.2106 Yaws and Yang (1992) ? 92

dimethylpropane 2.7106 Mackay and Shiu (1981) LC(CH3)4 5.910

6 3300 Wilhelm et al. (1977) L(neopentane) 2.7106 HSDB (2015) V[463-82-1] 4.5106 Mackay et al. (2006a) V

4.5106 Mackay et al. (1993) V4.5106 Hine and Mookerjee (1975) V2.5106 Hilal et al. (2008) Q


3100 Khne et al. (2005) ?4.7106 Yaws and Yang (1992) ? 925.8106 Abraham et al. (1990) ?5.9106 Abraham (1979) ?

hexane 6.1106 3800 Abraham and Matteoli (1988) LC6H14 5.910

6 Mackay and Shiu (1981) L[110-54-3] 6.1106 Ryu and Park (1999) M

7.4106 Park et al. (1997) M 1012.4104 8700 Kolb et al. (1992) M 1026.7106 Guitart et al. (1989) M 199.9106 7500 Ashworth et al. (1988) M 1036.7106 4200 Tsonopoulos and Wilson (1983) M5.9106 4000 Jnsson et al. (1982) M5.4106 Rytting et al. (1978) M5.5106 HSDB (2015) V5.5106 Mackay et al. (2006a) V5.5106 Mackay et al. (1993) V5.5106 Hwang et al. (1992) V7.1106 Eastcott et al. (1988) V6.1106 Cabani et al. (1981) V5.4106 Hine and Mookerjee (1975) V

3800 Gill et al. (1976) T 1007.7106 Hilal et al. (2008) Q



2-methylpentane 5.9106 Mackay and Shiu (1981) LC6H14 1.310

5 960 Ashworth et al. (1988) M 103(isohexane) 5.8106 HSDB (2015) V[107-83-5] 5.7106 Mackay et al. (2006a) V

5.7106 Mackay et al. (1993) V5.7106 Eastcott et al. (1988) V5.7106 Hine and Mookerjee (1975) V

Staudinger and Roberts (1996) R 1046.2106 Hilal et al. (2008) C


http://webbook.nist.gov/cgi/cbook.cgi?ID=463-82-1http://webbook.nist.gov/cgi/cbook.cgi?ID=110-54-3http://webbook.nist.gov/cgi/cbook.cgi?ID=107-83-5




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

4.8106 Hilal et al. (2008) Q4000 Khne et al. (2005) Q

6.7106 Nirmalakhandan and Speece (1988a) Q4000 Khne et al. (2005) ?

5.7106 Yaws and Yang (1992) ? 92

3-methylpentane 5.8106 Mackay and Shiu (1981) LC6H14 5.810

6 HSDB (2015) V[96-14-0] 5.9106 Mackay et al. (2006a) V

5.9106 Mackay et al. (1993) V5.9106 Eastcott et al. (1988) V5.8106 Hine and Mookerjee (1975) V6.2106 Hilal et al. (2008) Q


4700 Khne et al. (2005) ?8.8106 Yaws and Yang (1992) ? 92

2,2-dimethylbutane 5.8106 Mackay and Shiu (1981) LC6H14 5.810


5.0106 Mackay et al. (1993) V5.8106 Eastcott et al. (1988) V5.1106 Hine and Mookerjee (1975) V3.4106 Hilal et al. (2008) Q5.3106 Nirmalakhandan and Speece (1988a) Q6.5106 Yaws and Yang (1992) ? 92

2,3-dimethylbutane 7.7106 Mackay and Shiu (1981) LC6H14 8.210


6.9106 Mackay et al. (1993) V7.1106 Eastcott et al. (1988) V5.3106 Hilal et al. (2008) Q

4000 Khne et al. (2005) Q5.8106 Nirmalakhandan et al. (1997) Q


heptane 4.4106 4100 Abraham and Matteoli (1988) LC7H16 4.310


5.5106 Park et al. (1997) M 1011.2105 3700 Hansen et al. (1993) M 1056.0106 Guitart et al. (1989) M 194.2106 4700 Jnsson et al. (1982) M4.8106 Rytting et al. (1978) M5.5106 HSDB (2015) V4.8106 Mackay et al. (2006a) V4.8106 Mackay et al. (1993) V5.0106 Eastcott et al. (1988) V


http://webbook.nist.gov/cgi/cbook.cgi?ID=96-14-0http://webbook.nist.gov/cgi/cbook.cgi?ID=75-83-2http://webbook.nist.gov/cgi/cbook.cgi?ID=79-29-8http://webbook.nist.gov/cgi/cbook.cgi?ID=142-82-5




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

4.8106 Hine and Mookerjee (1975) V5.4106 Hilal et al. (2008) Q



2-methylhexane 2.9106 Mackay and Shiu (1981) LC7H16 1.910

5 -3600 Hansen et al. (1993) M 105, 106(isoheptane) 2.9106 Mackay et al. (2006a) V[591-76-4] 2.9106 Mackay et al. (1993) V

2.9106 Eastcott et al. (1988) V3.7106 Hilal et al. (2008) Q5.2106 Nirmalakhandan et al. (1997) Q2.9106 Yaws and Yang (1992) ? 92

3-methylhexane 4.2106 Mackay and Shiu (1981) LC7H16 4.010

6 Mackay et al. (2006a) V[589-34-4] 4.0106 Mackay et al. (1993) V


2,2-dimethylpentane 3.1106 Mackay and Shiu (1981) LC7H16 3.110




6 Mackay et al. (1993) V[565-59-3] 5.7106 Eastcott et al. (1988) V

4.8106 Hilal et al. (2008) Q4.7106 Nirmalakhandan et al. (1997) Q5.7106 Yaws and Yang (1992) ? 92



3.4106 Eastcott et al. (1988) V3.1106 Hine and Mookerjee (1975) V2.2106 Hilal et al. (2008) Q4.5106 Nirmalakhandan and Speece (1988a) Q3.3106 Yaws and Yang (1992) ? 92






H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note



5.4106 Eastcott et al. (1988) V4.0106 Hilal et al. (2008) Q



3-ethylpentane 5.3106 Hilal et al. (2008) QC7H16 3.910

6 Yaws and Yang (1992) ? 92[617-78-7]

2,2,3-trimethylbutane 3.2106 Mackay et al. (2006a) VC7H16 3.210

6 Mackay et al. (1993) V[464-06-2] 3.3106 Hilal et al. (2008) Q

4.1106 Yaws and Yang (1992) ? 92

octane 3.1106 4300 Abraham and Matteoli (1988) LC8H18 3.310


3.3106 Park et al. (1997) M 1013.0105 8000 Hansen et al. (1993) M 1053.1106 4100 Heidman et al. (1985) M2.9106 5400 Jnsson et al. (1982) M3.1106 Rytting et al. (1978) M3.1106 HSDB (2015) V8.6107 Abraham and Acree Jr. (2007) V3.2106 Mackay et al. (2006a) V3.8106 4800 Sarraute et al. (2004) V3.2106 Mackay et al. (1993) V3.0106 Hwang et al. (1992) V3.1106 Meylan and Howard (1991) V3.2106 Eastcott et al. (1988) V3.1106 Hine and Mookerjee (1975) V3.1106 Mackay and Leinonen (1975) V3.9106 Hilal et al. (2008) Q

4700 Khne et al. (2005) Q3.3106 Meylan and Howard (1991) Q5.0106 Nirmalakhandan and Speece (1988a) Q


2-methylheptane 2.9106 Mackay et al. (2006a) VC8H18 2.910

6 Mackay et al. (1993) V[592-27-8] 2.7106 Hilal et al. (2008) Q

2.7106 Hoff et al. (1993) ? 72.7106 Yaws and Yang (1992) ? 92






H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

3-methylheptane 2.7106 Mackay and Shiu (1981) LC8H18 2.710

6 Eastcott et al. (1988) V[589-81-1] 3.3106 Hilal et al. (2008) Q

4.2106 Nirmalakhandan et al. (1997) Q2.7106 Yaws and Yang (1992) ? 92

4-methylheptane 3.0106 Hilal et al. (2008) QC8H18 2.710

6 Yaws and Yang (1992) ? 92[589-53-7]

2,2-dimethylhexane 2.6106 5100 Dohnyosov et al. (2004) MC8H18 1.910

6 Hilal et al. (2008) Q[590-73-8] 4700 Khne et al. (2005) Q


2,3-dimethylhexane 3.4106 Hilal et al. (2008) QC8H18 2.610

6 Yaws and Yang (1992) ? 92[584-94-1]


6 Yaws and Yang (1992) ? 92[589-43-5]

2,5-dimethylhexane 2.7106 4700 Dohnyosov et al. (2004) MC8H18 1.710

6 Hilal et al. (2008) Q[592-13-2] 4700 Khne et al. (2005) Q



6 Yaws and Yang (1992) ? 92[563-16-6]


6 Yaws and Yang (1992) ? 92[583-48-2]

3-ethylhexane 3.7106 Hilal et al. (2008) QC8H18 2.610

6 Yaws and Yang (1992) ? 92[619-99-8]

2,2,3-trimethylpentane 2.7106 Hilal et al. (2008) QC8H18 2.610

6 Yaws and Yang (1992) ? 92[564-02-3]

2,2,4-trimethylpentane 3.0106 Mackay and Shiu (1981) LC8H18 4.610

6 Guitart et al. (1989) M 19(isooctane) 3.3106 Mackay et al. (2006a) V[540-84-1] 3.3106 Mackay et al. (1993) V

3.1106 Eastcott et al. (1988) V3.3106 Hine and Mookerjee (1975) V3.2106 Mackay and Leinonen (1975) V3.3106 Zhang et al. (2010) Q 107, 1081.7106 Zhang et al. (2010) Q 107, 109


http://webbook.nist.gov/cgi/cbook.cgi?ID=589-81-1http://webbook.nist.gov/cgi/cbook.cgi?ID=589-53-7http://webbook.nist.gov/cgi/cbook.cgi?ID=590-73-8http://webbook.nist.gov/cgi/cbook.cgi?ID=584-94-1http://webbook.nist.gov/cgi/cbook.cgi?ID=589-43-5http://webbook.nist.gov/cgi/cbook.cgi?ID=592-13-2http://webbook.nist.gov/cgi/cbook.cgi?ID=563-16-6http://webbook.nist.gov/cgi/cbook.cgi?ID=583-48-2http://webbook.nist.gov/cgi/cbook.cgi?ID=619-99-8http://webbook.nist.gov/cgi/cbook.cgi?ID=564-02-3http://webbook.nist.gov/cgi/cbook.cgi?ID=540-84-1




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

2.2105 Zhang et al. (2010) Q 107, 1101.6105 Zhang et al. (2010) Q 107, 1111.2106 Hilal et al. (2008) Q



2,3,3-trimethylpentane 3.6106 Hilal et al. (2008) QC8H18 2.410

6 Yaws and Yang (1992) ? 92[560-21-4]

2,3,4-trimethylpentane 5.3106 Mackay and Shiu (1981) LC8H18 Mackay et al. (2006a) V 112[565-75-3] 4.9106 Mackay et al. (1993) V

5.6106 Eastcott et al. (1988) V3.1106 Hilal et al. (2008) Q



3-ethyl-2-methylpentane 3.6106 Hilal et al. (2008) QC8H18 2.610

6 Yaws and Yang (1992) ? 92[609-26-7]

3-ethyl-3-methylpentane 4.5106 Hilal et al. (2008) QC8H18 2.310

6 Yaws and Yang (1992) ? 92[1067-08-9]

2,2,3,3-tetramethylbutane 3.4106 Hilal et al. (2008) QC8H18 2.610

6 Yaws and Yang (1992) ? 92[594-82-1]

nonane 2.0106 Mackay and Shiu (1981) LC9H20 2.210

6 Ryu and Park (1999) M[111-84-2] 1.9106 Park et al. (1997) M 101

2.3105 200 Ashworth et al. (1988) M 1031.8106 7300 Jnsson et al. (1982) M2.9106 HSDB (2015) V3.0106 Mackay et al. (2006a) V3.0106 Mackay et al. (1993) V1.7106 Eastcott et al. (1988) V2.0106 Abraham (1984) V3.0106 Hilal et al. (2008) Q



2-methyloctane 1.9106 Hilal et al. (2008) QC9H20 2.110

6 Yaws and Yang (1992) ? 92[3221-61-2]


http://webbook.nist.gov/cgi/cbook.cgi?ID=560-21-4http://webbook.nist.gov/cgi/cbook.cgi?ID=565-75-3http://webbook.nist.gov/cgi/cbook.cgi?ID=609-26-7http://webbook.nist.gov/cgi/cbook.cgi?ID=1067-08-9http://webbook.nist.gov/cgi/cbook.cgi?ID=594-82-1http://webbook.nist.gov/cgi/cbook.cgi?ID=111-84-2http://webbook.nist.gov/cgi/cbook.cgi?ID=3221-61-2




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

3-methyloctane 2.4106 Hilal et al. (2008) QC9H20 1.910

6 Yaws and Yang (1992) ? 92[2216-33-3]

4-methyloctane 1.0106 Mackay and Shiu (1981) LC9H20 9.910

7 Eastcott et al. (1988) V[2216-34-4] 2.3106 Hilal et al. (2008) Q

9.9107 Yaws and Yang (1992) ? 92

2,3-dimethylheptane 2.4106 Hilal et al. (2008) QC9H20 1.910

6 Yaws and Yang (1992) ? 92[3074-71-3]


6 Yaws and Yang (1992) ? 92[1071-26-7]


6 Yaws and Yang (1992) ? 92[2213-23-2]


6 Yaws and Yang (1992) ? 92[2216-30-0]


6 Yaws and Yang (1992) ? 92[1072-05-5]


6 Yaws and Yang (1992) ? 92[4032-86-4]


6 Yaws and Yang (1992) ? 92[922-28-1]


6 Yaws and Yang (1992) ? 92[926-82-9]


6 Yaws and Yang (1992) ? 92[1068-19-5]

3-ethylheptane 2.6106 Hilal et al. (2008) QC9H20 1.910

6 Yaws and Yang (1992) ? 92[15869-80-4]

4-ethylheptane 2.5106 Hilal et al. (2008) QC9H20 1.910

6 Yaws and Yang (1992) ? 92[2216-32-2]


http://webbook.nist.gov/cgi/cbook.cgi?ID=2216-33-3http://webbook.nist.gov/cgi/cbook.cgi?ID=2216-34-4http://webbook.nist.gov/cgi/cbook.cgi?ID=3074-71-3http://webbook.nist.gov/cgi/cbook.cgi?ID=1071-26-7http://webbook.nist.gov/cgi/cbook.cgi?ID=2213-23-2http://webbook.nist.gov/cgi/cbook.cgi?ID=2216-30-0http://webbook.nist.gov/cgi/cbook.cgi?ID=1072-05-5http://webbook.nist.gov/cgi/cbook.cgi?ID=4032-86-4http://webbook.nist.gov/cgi/cbook.cgi?ID=922-28-1http://webbook.nist.gov/cgi/cbook.cgi?ID=926-82-9http://webbook.nist.gov/cgi/cbook.cgi?ID=1068-19-5http://webbook.nist.gov/cgi/cbook.cgi?ID=15869-80-4http://webbook.nist.gov/cgi/cbook.cgi?ID=2216-32-2




H cp

(at T )[mol

m3 Pa

]dlnH cp

d(1/T )

[K]

Reference Type Note

2,2,3-trimethylhexane 1.9106 Hilal et al. (2008) QC9H

Compilation of Henry's law constants (version 4.0) for water as solvent

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Transcript of Compilation of Henry's law constants (version 4.0) for water as solvent