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NATL INST. OF STAND & TECH R I.C,

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PUBLiCATlONS

AlllDS M7bTEl

Nisr United States Department of CommerceTechnology Administration

National Institute of Standards and Technology

NIST Special Publication 928

Review of Methods and Measurements of Selected Hydrophobic

Organic Contaminant Aqueous Solubilities, Vapor Pressures,

and Air-Water Partition Coefficients

Holly A. Bamford, Joel E. Bakery and Dianne L. Poster

QC100

U57

NO. 928

1998

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NIST Special Publication 928

Review of Methods and Measurements of Selected Hydrophobic

Organic Contaminant Aqueous Solubilities^ Vapor Pressures,

and Air-Water Partition Coefficients

Holly A. Bamford

Joel E. Baker

Center for Environmental Science

Chesapeake Biological Laboratory

The University of Maryland System

Solomons, MD 20688

and

Dianne L. Poster

Analytical Chemistry Division

Chemical Science and Technology Laboratory


Gaithersburg, MD 20899-0001

March 1998

U.S. Department of CommerceWilliam M. Daley, Secretary

Technology Administration

Gary R. Bachula, Acting Under Secretary for Technology


Raymond G. Kammer, Director

National Institute of Standards U.S. Government Printing Office

and Technology,

Washington: 1998

Special Publication 928

Natl. Inst. Stand. Technol.

Spec. Publ. 928

101 pages (Mar. 1998)

CODEN: NSPUE2

For sale by the Superintendent

of Documents

U.S. Government Printing Office

Washington, DC 20402

TABLE OF CONTENTS

LISTOFnGURES v

ABSTRACT vi

1. INTRODUCTION 1

1.1 Objective of this review 1

2. PHYSICAL AND CHEMICAL PROPERTIES 3

2. 1 Aqueous solubility 3

2.2 Vapor pressure 4

2.3 Henry's law constant 4

2.4 Additional information 8

3. TEXT BIBLIOGRAPHY 10

4. DATA TABLES 13

Table 1. Method identification numbers 14

Table 1 .a. Identification numbers for aqueous solubility methods of

determination 15

Table 1 .b. Identification numbers for vapor pressure methods of determination

15

Table I.e. Identification numbers for Henry's law constant methods of

determination 16

Table 2. Physical constant data for polycyclic aromatic hydrocarbons (PAHs) 17

Table 2. a. Aqueous solubility data, PAHs 18

Table 2.b. Vapor pressure data, PAHs 26

Table 2.c. Henry's law constant data, PAHs 28

Table 3. Physical constant data for chlorinated aliphatics 32

Table 3. a. Henry's law constant data, chlorinated aliphatics 33

Table 4. Physical constant data for polychlorinated biphenyls (PCBs) 36

Table 4. a. Aqueous solubility data, PCBs 37

Table 4.b. Vapor pressure data, PCBs 48

Table 4.c. Henry's law constant data, PCBs 53

Table 5. Physical constant data for chlorinated benzenes 60

Table 5. a. Aqueous solubility data, chlorinated benzenes 61

Table 5.b. Vapor pressure data, chlorinated benzenes 61

Table 5.c. Henry's law constant data, chlorinated benzenes 61

Table 6. Physical constant data for polychlorinated dibenzo-/?-dioxins 64

Table 6.a. Aqueous solubility data, polychlorinated dibenzo-p-dioxins 65

Table 6.b. Vapor pressure data, polychlorinated dibenzo-p-dioxins 66

Table 6.c. Henry's law constant data, polychlorinated dibenzo-p-dioxins 66

iii

Table 7. Physical constant data for polychlorinated dibenzofurans 67

Table 7. a. Aqueous solubility data, polychlorinated dibenzofurans 68

Table 7.b. Vapor pressure data, polychlorinated dibenzofurans 68

Table 8. Physical constant data for agrochemicals 79

Table 8. a. Aqueous solubility data, agrochemicals 80

Table 8.b. Vapor pressure data, agrochemicals 82

Table 8.c. Henry's law constant data, agrochemicals 85

5. REFERENCES 90

5.1 Cited references 90

5.2 Reviewed references 92

iv

LIST OF FIGURES

Figure 1. Schematic of a gas stripping apparatus for measuring Henry's law constants

(Mackay et al., 1979; Adapted from Ashworth et al., 1988) 5

Figure 2. Schematic diagram of the wetted-wall column system by Fendinger and Glotfelty

(1988) 6

Figure 3. Diagram of fog chamber developed and used for determinations of pesticide

Henry's law constants by Fendinger et al. (1989) 7

Figure 4. Dynamic headspace gas-partitioning apparatus developed and used by Yin and

Hassett (1986) to measure fugacity and freely dissolved mirex in water 7

Figure 5. Number of compounds with data reported in Tables 1-8 8

ABSTRACT

Aqueous solubilities, vapor pressures, and Henry's law constants for a wide range of organic

contaminants of environmental interest are presented. Specifically, a discussion of methods used

to measure these physical constants and resulting measurements are provided in an effort to examine

the scope of physical constants reported in the scientific literature. Physical constants reviewed

include those for 40 PAHs, 14 chlorinated aliphatics, 149 PCBs, 12 chlorinated benzenes, 16

dioxins, 63 furans, and 29 agrochemicals = 323 compounds) and overall a total of 1605 values

are listed. These data were compiled to initiate the incorporation of physical constant literature

values of these compounds into the National Institute of Standards and Technology's (NIST)

Chemical and Science Technology Laboratory (CSTL) database program.

Key Words: air-water partitioning, aqueous solubility, Henry's law constants, organic contaminants,

vapor pressure

vi

1. INTRODUCTION

A wide range of industrially synthesized organic contaminants are measurable in the environment

by current sampling and analytical chemistry methods and are of environmental concern. Many of

these compounds persist and migrate within and between local, regional, and even global

environmental compartments for long periods of time. In addition, many have a tendency to

bioaccumulate in aquatic or terrestrial food chains, exhibit toxicity at minute levels, and are

probable human carcinogens. Polychlorinated biphenyl congeners (PCBs) and polychlorinated

dibenzofurans and polychlorinated dibenzo-/?-dioxins ("dioxins") are familiar examples, which are

widely known to be linked with fish consumption advisories in areas such as the Great Lakes. Not-

so-familiar examples are polycyclic aromatic compounds which include as a subgroup polycyclic

aromatic hydrocarbons (PAHs). Many PAHs are highly persistent in the environment and are potent

cancer-causing and mutagenic agents; benzo[a]pyrene is an example. Other examples include

agricultural chemicals (pesticides, herbicides, and fungicides) that exhibit various degrees of

persistence in the environment.

PCBs are a class of chlorinated compounds that were widely used in industrial applications such as

electrical insulation. PCBs were produced in the United States from 1929 until about 1978 when

concern over adverse environmental effects led to a ban on their manufacture under the Toxic

Substances Control Act of 1976 (TSCA) (Woodyard and King, 1992). However, during this period

world production of PCBs was approximately 1.5 million metric tons with about 650,000 metric tons

generated in the United States (De Voogt and Brinkman, 1989). It has been estimated that 20 percent

to 30 percent of this amount entered the environment as contamination (Webster and Commoner,

1994). Approximately 200,000 metric tons of PCBs are still in use in the United States in capacitors,

transformers, and other electrical equipment (Amend and Lederman, 1992).

Anthropogenic dioxins, dibenzofurans, and PAHs exist in the environment due to current-uses of

materials related to the production of these compounds. Dioxins are by-products of combustion of

chlorine laden organic material and of chlorine bleaching in paper industries and dibenzofurans are

produced by numerous combustion processes (Hites, 1990; Brzuzy and Hites, 1996). Similarly,

PAHs are by-products of the burning of organic materials such as fossil fuels, refuse, and wood.

Natural sources of combustion, such as forest fires and volcanos, and biosynthesis (sediment

diagenesis, tar pits) also produce PAHs but these are minor relative to anthropogenic sources

(Meyers and Hites, 1982; Bj0rseth and Ramdahl, 1985).

The global use and widespread detection of agricultural chemicals in the environment have increased

significantly over the last several decades (Montgomery 1993 and references within). Many heavily

used compounds exhibit environmental residence times long enough to adversely impact soils,

groundwater, aquatic ecosystems, and to some extent air quality. Obvious sources of these

compounds include agricultural farming operations and commercial and residential landscaping

practices. Not-so-obvious sources include non-point source areas and fugitive emissions.

1.1 Objective of this review. The environmental transport (migration) and fate (persistence) of

organic contaminants and their tendency to bioaccumulate and exhibit toxicity are significantly

1

influenced by their chemical and physical properties. In order to fully understand local, regional, and

global environmental pollution and their relation to human and environmental ecosystem health

effects associated with exposure to organic contaminants, reliable organic contaminant chemical and

physical property data are essential (Mackay et al., 1992). Unfortunately, gathering accurate

organic contaminant physical property data is often difficult. Physical constant values reported in

scientific papers as results from experimental measurements often vary by several orders of

magnitude. Moreover, many different types of methods are used to obtain measurements and it is

unclear if the lack of precision for reported values is related somehow to the wide range of methods

used. This report provides a discussion of methods used to measure physical constants of organic

environmental contaminants and measurements of physical constants from these methods are

provided in an effort to examine the scope of physical constants reported in the scientific literature.

Physical constants reviewed include aqueous solubility, vapor pressure, and Henry's law constants

(air-water partition coefficients) for 40 PAHs, 14 chlorinated aliphatics, 149 PCBs, 12 chlorinated

benzenes, 16 dioxins, 63 furans, and 29 agrochemicals (Y,= 323 compounds). A total of 1605 values

are given in this report. These data were compiled to initiate the incorporation of physical constant

literature values of these compounds into the National Institute of Standards and Technology's

(NIST) Chemical and Science Technology Laboratory (CSTL) database program. Specifically,

methods and values are presented. As this report is focused on a review and discussion of the

methods and currently available measured physical/chemical property data for organic contaminants

of environmental concern, specification of discrete values to include in NIST's CSTL database

program is deferred until evaluation of the current data is complete. In particular, results from

studies currently in progress which are designed to develop estimation methods based upon

molecular properties of the compounds in order to critically evaluate the current review of physical

property data of organic contaminants will be used for this task. Our intent is to evaluate much of

the current data using measurement data as a baseline to recommend values for the NIST database

program. As demonstrated by the range of the values reported here, critical evaluation of these data

is necessary to facilitate accurate use. Values span several orders of magnitude and users are left

with their own intuition as to which literature value to use for their application. Several orders of

magnitude can alter environmental fate assessments of chemicals, sometimes drastically. Hence, our

aim is to critically evaluate much of the data reported here using our measurement data so best

possible values may be recommended for inclusion in the database program described above. Other

approaches for evaluating the physicochemical property values reported here may also be considered.

For example. Heller et al. (1994) recendy developed an expert system for evaluating the efficacy of

reported methodology for determining aqueous solubility. In this work, the basic philosophy is that

sound methods provide "good" data and Heller et al. developed a system for the evaluation of

measured physicochemical property values using this concept. A method such as this may be

considered for evaluating the current data set.

A recently published review by Mackay et al. (1992) provides a large collection of physical-chemical

properties and a review of the environmental fate for organic chemicals. In addition, Mackay et al.

(1992) provide a detailed discussion on the current state of quantitative structure-property

relationships (QSPR). Estimates of physical properties calculated using correlative or quantitative

structure-property relationships are not included in this report. This is a fast-growing area of

2

research directed to the development of relationships which describe physical-chemical properties

of environmental concern based on a compound's chemical structure. The paucity of directly

measured values has fueled the growth of this research field. Yalkowsky (1993) offer a comparative

evaluation of methods available for the estimation of the aqueous solubility of complex organic

compounds including PAHs, aliphatic alcohols, monosubsitituted benzenes, monofunctional

aliphatics, and agrochemicals, such as malathion, chlorpyrifos, and chlordane. Sutter and Jurs (1996)

offer a more recent look at aqueous solubility predictions for 140 organic compounds.

Reported values in the present work are largely from searches of articles listed by Mackay et al.

(1992) and Staudinger and Roberts (1996), as well as data reported by Montgomery (1993).

Methods used to measure physical constants of agrochemicals were not specifically reported by

Montgomery (1993) and as a result are not listed here. The years of literature reviewed by Mackay

et al. (1992) range from 1931 to the time of publication. A review of more recently published

physical property measurement work relative to Mackay et al. (1992), Staudinger and Roberts

(1996), and Montgomery (1993) was conducted for the current work. In particular, articles listed

in Water Resources Abstracts (ca. 1980 - present), Current Contents (1980 - 1995) and Science

Citation Index (1994 - 1997) were reviewed. A total of 135 articles were reviewed. Reported

physical constants and the methods used to derive these are presented. Many of the 135 articles did

not contain original physical property data. Rather, data was taken from the original papers that

described the measurement work. Section 5.1. lists references that contain physical property data

resulting from measurement work and these were used as sources for the data listed in Tables 2-8,

with the exception of the agrochemical data given by Montgomery (1993) which are listed here

without specific methods of measurement. Papers that listed, used, or propagated measurement data

are listed in Section 5.2, although data reported in these papers were not extracted and included in

Tables 2-8.

2. PHYSICAL AND CHEMICAL PROPERTIES

2.1 Aqueous solubility. During this work, it was found that aqueous solubility (mg/L)

measurements, the concentration of a substance's saturated solution at a given temperature and

pressure, were generally listed as either the result of an equilibration method of measurement or as

the result of an analytical method of determination. Hence, in the aqueous solubility physical

constant table solubility methods are identified by two numbers, the first being the method of

equilibration followed by the method of instrumental determination. Calculated data, however,

{e.g., calculated from a fit of the parameter to a function of a variable such as temperature) is also

provided and in this case there is only one number listed for the method identification (Method ID).

Estimation of the aqueous solubilities of organic compounds are given by Yalkowsky and Valvani

(1979) and more recently, Yalkowsky (1993).

Two common methods of equilibration include the shake flask method, in which an excess amount

of solute chemical is added to water and then shaken gently or stirred on a stirring plate until

equilibrium is achieved (Booth and Everson, 1948, Mackay et al., 1992), and the generator column

method, in which an inert solid support (e.g., glass beads) is coated with the analyte, packed in an

open tubular column, and water is run through at a precise flow rate to achieve equilibrium. It has

3

been generally accepted that the generation column method is the most accurate technique of

solubility determination for sparingly soluble solid hydrophobic compounds as described by Mayet al. (1978 a,b). Danielsson and Zhang (1996) provide a short overview of these methods in terms

of working principles, although their discussion is on the determination of «-octanol-water partition

constants rather than aqueous solubility.

Methods of instrumental determination of the saturated solution and several historical references to

these include (Mackay et al., 1992): ultraviolet spectrometry (Andrews and Keffer, 1950a,b; Bohon

and Claussen 1951), gas chromatography (McAuliffe 1966), fluorescence spectrophotometry

(Mackay and Shiu, 1977), interferometry (Gross and Saylor, 1931), liquid chromatography (May et

al., 1978a,b), and nephelometric methods (Davis and Parke, 1942; Davis et al., 1942; Hollifield

1979). Wauchope and Getzen (1972) document the temperature dependence of solubility for several

PAHs. Table 1 .a. provides a listing of the identification numbers for the aqueous solubility methods

of determination that are given in Tables 2-8.

2.2 Vapor pressure. Like aqueous solubility, the vapor pressure (Pa) of a compound, the pressure

exerted by a vapor in dynamic equilibrium with its liquid at a given temperature, is a "saturation"

property. Unlike aqueous solubility, vapor pressure measurements can be made directly through the

use of a pressure gauge {e.g., a diaphragm gauge), or by indirect methods based on evaporation rate

measurements or chromatographic retention times. Common methods for measurement and

historical references of vapor pressure are (Mackay et al., 1992): calculated (from boiling points -

Mackay et al., 1982), pressure gauge (Sears and Hopke, 1947; Ambrose et al., 1975; Osbom and

Douslin, 1975), comparative ebulliometry (Ambrose 1981), effusion (Balson, 1947), gas saturation

or transpiration (Spencer and Cliath, 1970), liquid chromatography (Sonnefeld et al., 1983), and

capillary gas chromatography (Hamilton 1980; Bidleman 1984). Estimation methods for PCBs are

presented by Burkhard et al. (1985). Table l.b provides a listing of identification numbers for vapor

pressure methods of determination. The last column in the vapor pressure physical constant tables,

titled "phase", indicates what phase or state the solute was in during the experimental determination

of its vapor pressure. For example, many measurements of vapor pressure are for supercooled liquid

compounds.

2.3 Henry's law constant. The Henry's law constant is the air-water equilibrium partition

coefficient for compounds in dilute aqueous solutions. It is defined as the ratio of the concentration

in the gas phase to the concentration in the dissolved phase. As an equilibrium constant, the Henry's

law constant is a key parameter with respect to a compound's fate and transport in the environment

by providing estimates of air-water partitioning. Air-water partitioning in the enviomment can be

on a small scale {e.g., partitioning of atmospheric gases to raindrops) or on a large scale {e.g.,

partitioning of atmospheric gases to surface waters).

Henry's law constants can be presented in various ways based on different sets of associated units.

Henry's law constants are typically reported as H = Pi / Cw where Pi is the partial pressure of the

compound (Pa), Cw is the compound dissolved concentration in water (mol / m^), and H is in units

of Pa m^ / mol. It is also found in a "dimensionless" form which is expressed as H' = (Pi / Cw)/{RT)

where R is the ideal gas constant (8.3 14 Pa mV mole K) and T is temperature (K). Hence, to convert

4

a reported "dimensionless" H' value to units of

Pa / mol one can multiply H' by RT. Wereport Henry's law constants in units of PamVmol.

Like vapor pressure, the Henr}''s law constant

requires only one method of measurement to

obtain data for each compound; however, it is

more difficult to determine because it is derived

from concentration measurements made in two

different phases, air and water. Therefore, manymethods have been developed that take

measurements from one phase and by mass

balance the concentration of the solute in the

other phase is determined. Currently, methods of

determination for the Henry's law constant are

calculated, gas stripping, equilibrium partitioning

in closed system (EPICS), wetted-wall column,

and the variable headspace method (Table l.c).

Atr Supply

PresaiUfaior

Figure 1. General schematic of a gas stripping

apparatus for measuring Henry's law constants

(Mackay et al., 1979; Adapted from Ashworth

et al., 1988).Calculated methods for the determination of a

compound's Henry's law constant involve the use

of either calculated or measured vapor pressure

and aqueous solubility data. Other calculated methods include the use of structure relationships but

these are commonly constrained by temperature limitations. Computer models, making use of a

compound's structure and bonding to help determine its Henry's law constant, have also been

developed and used (Nirmalakhandan and Spreece, 1988; Russell et al., 1992; Staudinger and

Roberts, 1996), but are also variable limited in terms of environmental parameters such as

temperature, salinity, and pressure.

There are generally two approaches for the direct determination of a compound's Henry's law

constant. One is the dynamic equilibrium approach and the other is the static equilibrium approach.

The dynamic equilibrium approach employs a particular equilibrium air-water partitioning technique.

Examples are gas stripping and concurrent flow methods. The gas stripping technique, first

developed by Mackay et al. (1979), can be used to determine a compound's Henry's law constant

through the measurement of the rate loss of a compound from water to air by stripping it from the

water phase with a gas using a bubble column apparatus (fig. 1). Other workers have recently

employed this technique for the determination of Henry's law constants for a wide range of

environmental organic pollutants (Ashworth et al., 1988; Kucklick et al., 1991; ten Hulscher et al.,

1992; Alaee, 1996). Hassett and Millicic (1985) and Yin and Hassett (1986) have developed a

similar system for measuring Henry's law constants in natural waters.

The concurrent flow technique, also called the "wetted-wall" technique, uses a vertical column to

equilibrate an organic solute between a thin layer of water and a concurrent flow of gas (Fendinger

5

and Glotfelty, 1988, 1990; Brunner et al., 1990;

Meylan and Howard, 1991; Rice et al., 1997, fig.

2). Fendinger and Glotfelty (1988) demonstrated

that the wetted-wall technique yielded more reliable

Henry's law constants than can be calculated from

published vapor pressure and solubility data.

Briefly, the concentration of the solute is

determined in both the gas and aqueous phase and

the Henry's law constant is calculated as the

dimensionless ratio of these concentrations.

An alternative air-water equilibrium approach for

determining air-water Henry's law constants

involves the use of a fog chamber (fig. 3). Air-

water equilibrium of a compound is obtained with

the fog chamber by aspirating water laden with

solute into one end of a glass chamber and

collecting droplets either via drain or in cyclone

collectors at the other end of the chamber

(Fendinger et al., 1989). This apparatus was

designed to measure Henry's law constants at a

greater sensitivity than achieved with the wetted-

wall technique and to provide independent

confirmation of Henry's law constants obtained

with the wetted-wall technique. A comparison of

Henry's law constants measured with the wetted-

Figure 2. Schematic diagram of the wetted-

wall column system by Fendinger and

Glotfelty, 1988. System components are (A)

valveless metering pumps, (B) impinger to

saturate incoming air with water, (C)

Chromosorb 102 vapor trap, (D) air outlet to

bubble flow meter, (E) solid-phase extraction

cartridge, (F) optional analyte vapor source,

and (G) wetted-wall column (exploded view

of wetted-wall column to the right).

wall technique and fog chamber was presented by

Fendinger et al. (1989). Differences between Henry's law constants determined by the two

techniques for six pesticides were less than 30 percent.

For the static equilibrium approach, air-water partitioning of a compound is determined under

equilibrium conditions in a closed system (equilibrium partitioning in closed system: EPICS). Equal

amounts of a compound are placed into different bottles containing variable gas-to-water ratios and

the Henry's law constant is calculated from the measurement of the concentration ratio (Lincoff and

Gossett, 1984; Gossett, 1987; Tancrede and Yanagisawa, 1990; Dewulf et al., 1995). Analtemative static equilibrium approach is the dynamic headspace technique (Yin and Hassett, 1986;

Robbins, 1993; Hansen et al., 1993) (fig. 4). This technique does not require the exact concentration

of the compound to be known but rather the equilibrium headspace peak areas are measured by gas

chromatography from bottles containing different headspace-to-liquid volume ratios. Using a plot

of these data gives the Henry's law constant and valid results can be generated by analyzing a wide

range of headspace-to-liquid volume ratios. This method is most satisfactory for compounds with

Henry's law constants greater than 100 Pa mVmol, These compounds are highly volatile and are

expected to be lost rapidly to the gas phase. For compounds with Henry's law constants in the range

of 25 Pa mVmol to 100 Pa mVmol, head space analysis is still possible but extensive purging may

6

Chwtor Vent

Figure 3. Diagram of fog chamber developed and used for

determinations of pesticide Henry's law constants by

Fendingeret al. (1989).

be required since volatilization is not very rapid. Head space analysis is rarely feasible for

compounds with Henry's law constants less than 25 Pa m^ / mol (Suntio et al., 1988). Henry's law

constants for organic compounds of environmental concern are strongly influenced by a variety of

environmental parameters, most importantly temperature. A change in 10 °C can lead to almost a

doubling of the Henry's law constants for PAHs (Alaee et al., 1996). However, the influence of pH,

compound hydration and concentration, and the presence of complex mixtures, dissolved salts.

Figure 4. Dynamic headspace gas-partitioning apparatus

developed and used by Yin and Hassett (1986) to measure

fugacity and freely dissolved mirex in water.

7

suspended solids, dissolved organic matter, and surfactants can also have an influence on a

compounds Henry's law constant and the evaluation of this influence remains severely limited.

Staudinger and Roberts (1996) review these effects extensively for a wide range of chemicals,

including carboxylic acids, alcohols, phenols, and thiols. We are currently investigating the effects

of temperature on the Henry's law constant for PAHs and will use these data to critically evaluate

much of the currently reviewed data.

2.4 Additional information. Physical constant data for a variety of temperatures are reported in

the literature. As physical/chemical property data for organic solutes are typically temperature

dependent, the temperature at which a measurement was made is listed for each compound (when

available) in the physical constant data tables (Tables 2-8). In addition, if the compound was in a

phase other than liquid, it is noted in the last column of each table. Units for aqueous solubility,

vapor pressure, and Henry's law constant data are mg/L, Pa, and Pa mVmol, respectively.

k^ith

Data

140^

120^

>(AoC

100^

13O 80^

)f

Comf

60^

o 40^

Ez

20^

0-

Figure 5. Number of compounds with data reported in Tables 2-8.

Chemical groups, such as PAHs, are listed and include within them

individual compounds, such as benzo[a]pyrene. See Tables 2-8 for a

listing of all compounds within a group. Sw, Vp, and HLC represent

aqueous solubility, vapor pressure, and Henry's law constant,

respectively.

8

upon examination of the data in Tables 2-8, it is evident that there is a lack of data for a wide range

of compounds within the chemical groups reviewed. For example, there is a large amount of data

reported for PCBs but significantly less for other classes of compounds such as PAHs (fig. 5). In

general, chemical groups that have a large number of compounds in which physical properties have

been determined are those that have physical properties that are less difficult to measure by current

analytical techniques. For example, many PCBs are very volatile and this enables vapor pressure

measurements to be made with little difficulty. In contrast, many of the compounds within the

chemical groups listed in Figure 5 are hydrophobic, thereby making measurements of their solubility

and Henry's law constant difficult. However, there are also a larger number of individual PCBcongeners within the chemical group "PCBs" relative to other types of compounds, such as PAHs.

Also, several of the chemical groups, such as PAHs, dioxins, and furans, have received little

attention in terms of environmental fate and toxicological studies until recently. Hence, the physical

properties necessary for understanding the environmental fate of these compounds have not been

extensively studied. Despite the paucity of physical property data, which are strongly needed for the

accurate assessment of the environment fate of these compounds, researchers often use data from

a class of compounds other than that being investigated to use for their application, usually via an

estimation or modeling exercise. For example, directly measured Henry's law constants as a

function of temperature are not available for many PAHs but temperature dependent Henry's law

constants have been estimated using a relationship that describes the temperature dependence of PCBHenry's law constants (Baker and Eisenreich, 1990, Tateya et al., 1988). In addition, many physical

property data reported in the literature are the result of measurements or calculations near 25 "C and

unfortunately these conditions are not applicable for many environmental systems since temperature

is one of the most significant factors influencing the environmental fate of organic compounds.

Knowing what effect temperature has on a compound's Henry's law constant will not only assist in

accurately characterizing where the compound may accumulate in the environment, but will also

further the exactness of calculating a compound's rate of transfer between and within environmental

compartments (e.g., atmosphere, oceans) (Mackay and Yeun, 1983; Baker and Eisenreich, 1990,

Staudinger and Roberts, 1996, Diamond et al., 1996). Therefore, studies that are designed to address

the effects of temperature on the air-water partitioning of organic compounds are considered

essential for evaluation of the data presented in this report.(

In summary, the data presented in Tables 2-8 are evolutionary in terms of the NIST database

program, largely because our intent is to evaluate the current data set using measurement data as a

baseline so that the best possible values of a wide range of compounds may be recommended for the

NIST database program. In particular, physical property measurements at temperatures other than

20 °C or 25 °C may be useful for critically evaluating the current data set. Results from studies

which are designed to develop estimation methods based upon molecular properties of the

compounds in order to critically evaluate the current review of physical property data of organic

contaminants will be used for this task and these efforts are currently underway.

9

3. TEXT BIBLIOGRAPHY

Alaee, M.; Whittal, R.M.; Strachan, M.J. Chemosphere 1996, 32, 1 153.

Ambrose, 0.7. Chem. Thermodyn. 1981, 13, 1161.

Ambrose, D.; Lawrenson, L.J.; Sprake, C.H.S. J. Chem. Thermodyn. 1975, 7, 1173.

Amend, L.J.; Lederman, P.B. Environ. Prog. 1992, 11, 173.

Andrews, L.J.; Keffer, R.M. J. Am. Chem. Soc. 1950a, 72, 3644.

Andrews, L.J.; Keffer, R.M. J. Am. Chem. Soc. 1950a, 72, 5034.

Ashworth, R.A.; Howe, G.B.; MuUins, M.E.; Rodger, T.N. /. Haz. Mat. 1988, 18, 25.

Baker, J.E.; Eisenreich, S.J. Environ. Sci. Technol. 1990, 24, 342.

Balson, E.W. Trans. Farad. Soc. 1947, 43, 54.

Bidleman, T.R. Anal. Chem. 1984, 56, 2490.

Bj0rseth, A.; Ramdahl, T. Handbook ofPolycyclic Aromatic Hydrocarbons; Marcel Dekker: New York, NY,1985.

Bohon, R.L.; Claussen, W.F. J. Am. Chem. Soc. 1951, 73, 1571.

Booth, H.S.; Everson, H.E. Ind. Eng. Chem. 1948, 40, 1491.

Brunner, S.; Homung, E.; Santl, H.; Wolff, E.; Piringer, O.G. Environ. Sci. Technol. 1990, 24, 1751.

Brzuzy, L.P.; Kites, R.H. Environ. Sci. Technol. 1996, 30, 1797.

Burkhard, L.P.; Andren, A.W.; Armstrong, D.E. Environ. Sci. Technol. 1985, 19, 500.

Danielsson, L.; Zhang, Y. Trends in Anal. Chem. 1996, 15, 188.

De Voogt, P.; Brinkman, U. In Halogenated Biphenyls, Terphenyls, Naphthalenes, Dibenzodioxins and

Related Products; Kimbrough, R.D., Jensen, A.A., Eds.; Elsevier: Amsterdam, 1989.

Davis, W.W.; Krahl, M.E.; Clowes, G.H. J. Am. Chem. Soc. 1942, 64, 108.

Davis, W.W.; Parke, T.V.Jr. J. Am. Chem. Soc. 1942, 64, 101.

Dewulf, J.; Drijvers, D.; van Langerhove, H. Atmos. Environ. 1995, 29, 323.

Diamond, M.L.; Mackay, D.; Poulton, D.J.; Stride, F.A. Wat. Res. 1996, 30, 405.

10

Fendinger, N.J.; Glotfelty, D.E. Environ. Sci. Technol. 1988, 22, 1289.

Fendinger, N.J.; Glotfelty, D.E.; Freeman, H.P. Environ. Sci. Technol. 1989, 23, 1528.

Fendinger, N.J.; Glotfelty, D.E. Environ. Tox. Chem. 1990, 9, 731.

Gossett, J.M. Environ. Sci. Technol. 1987, 21, 202.

Gross, P.M.; Saylor, J.H. J. Am. Chem. Soc. 1931, 53, 1744.

Hamilton, D.J. /. Chromatogr. 1980, 195, 75.

Hansen, K. C; Zhou, Z.; Yaws, C. L., Aminabhav, T. M. /. Chem. Eng. Data 1993, 38, 546.

Hassett, J.P.; Milicic, E. Environ. Sci. Technol. 1985, 19, 638.

Heller, S.R.; Bigwood, D.W.; May, W.E. J. Chem. Inf. Comput. Sci. 1994, 34, 627.

Hites, R.H. Acc. Chem. Res. 1990, 23, 196.

Hollifield, H.C. Bull. Environ. Contam. Tox. 1979, 23, 579.

Kucklick, J.R.; Hinckley, D.A.; Bidleman, T.F. Mar. Chem. 1991, 34, 197.

Lincoff, A.H.; Gossett, J.M. In Gas Tranter at Water Surfaces; Brusasert, W., Jirka, G.H., Eds.; Dordrecht:

Holland, 1984, pp 17-25.

Mackay, D.; Bobra, A.; Chan, D.W.; Shiu, W.Y. Environ. Sci. Technol. 1982, 16, 645.

Mackay, D.; Shiu, W.Y. J. Chem. Eng. Data 1977, 22, 339.

Mackay, D.; Shiu, W.Y.; Ma, K.C. Illustrated Handbook of Physical-Chemical Properties and

Environmental Eatefor Organic Chemicals; Lewis Publishers, Inc.: Chelsea, MI, 1992.

Mackay, D.; Shiu, W. Y.; Sutherland, R. P. Environ. Sci. Technol. 1979, 13, 333.

Mackay, D.; Yeun, A.T.K. Environ. Sci. Technol. 1983, 17, 211.

May, W.E.; Wasik, S.P.; Freeman, D.H. Anal. Chem. 1978a, 50, 175.

May, W.E.; Wasik, S.P.; Freeman, D.H. Anal. Chem. 1978b, 50, 997.

McAuliffe, C. J. Phys. Chem. 1966, 70, 1267.

Meyers, P.A.; Hites, R.A. Atmos. Environ. 1982, 16, 2169.

Meylan, W. M.; Howard, P. H. Environ. Tox. Chem. 1991, 10, 1283

11

Montgomery, J. Agrochemical Desk Reference Environmental Data; Lewis Publishers, Inc.: Chelsea, MI,

1993.

Nirmalakhanden, N.N.; Spreece, R.E. Environ. Sci. Technol. 1988, 22, 1349.

Osbom, A.G.; Douslin, D.R. J. Chem. Eng. Data 1975, 20, 229.

Rice, CP.; Chemyak, S.M.; McConnell, L.L. J. Agri. Food Chem. 1997, 45, 2291.

Robbins, G. A.; Wang, S.; Stuart, J. D. Anal. Chem. 1993, 65, 3113.

Russell, C.J.; Dixon, S.L.; Jurs, P.C. Anal. Chem. 1992, 64, 1350.

Sears, G.W.; Hopke, E.R. J. Am. Chem. Soc. 1947, 71, 1632.

Sonnefeld, W.J.; Zoller, W.H.; May, W.E. Anal. Chem. 1983, 55, 275.

Spencer, W.F.; Cliath, M.M. J. Agric. Food Chem. 1970, 18, 529.

Staudinger, J.; Roberts, P.V. Critical Reviews in Environ. Sci. Technol. 1996, 26, 205.

Suntio, L.R.; Shiu, W.Y.; Mackay, D.; Seiber, J.N.; Glotfelty, D. Rev. Environ. Contam. Tox. 1988, 103, 1.

Sutter, J.M.; Jurs, P.C. J. Chem. Inf. Comput. Sci. 1996, 36, 100.

Tancrede, M. V.; Yanagisawa, Y. J. AWMA 1990, 40, 1658.

Tateya, S.; Tanabe, S.; Tatsukawa, R. In Toxic Contamination in Large Lakes; Schmidtke, N.W., Ed.; Lewis

Publishers: Chelsea, MI, 1988; pp 237-281.

ten Hulscher, T.E.M.; van der Velde, L.E.; Bruggeman, W.A. Environ. Toxicol. Chem. 1992, 11, 1595.

Wauchope, R.D.; Getzen, F.W. J. Chem. Eng. Data 1972, 17, 38.

Webster, T.; Commoner, B. In Overview of the Dioxin Debate; Schecter, A., Ed.; Plenum: New York, NY,

1994; pp 1-50.

Woodyard, J.P.; King J.J. PCB Management Handbook, 2"^ ed.; Executive Enterprises Publications Co., Inc.:

New York, NY, 1992.

Yalkowsky, S.H. Chemosphere 1993, 26, 1239.

Yalkowsky, S.H.; Valvani, S.C. J. Chem. Eng. Data 1979, 24, 127.

Yin, C; Hassett J.P. Environ. Sci. Technol. 1986, 20, 1213.

12

DATA TABLES

Table 1. Method identification numbers

14

Table l.a. Identification numbers for aqueous solubility methods of determination

METHODS OF EOUILIBRTTIM

calculated 1

shake flask 2

thin-layer coating 3

generator column 4

METHODS OF DETERMINATION METHOD IDENTIFICATION

fliinrp^ppTipp ^npptronhntnmptrv <;J

illLCl iCi UlilCLl y O

liquid chromatography 7

nephelometric methods 8

generator column 9

other 10

data handbook, reported 11

Table l.b. Identification numbers for vapor pressure methods of determination

METHOD METHOD IDENTIFICATION NUMBER

calculated 1

pressure gauge 2

comparative ebulliometry 3

effusion methods 4

gas saturation or transpiration methods 5

liquid chromatography 6

capillary gas chromatography 7


15

Table I.e. Identifleation numbers for Henry's law constant methods of determination.

METHOD METHOD IDENTIFICATION NUMBER

calculated 1

gas stripping 2

EPICS (equilibrium partitioning in closed

system)

3

wetted-wall column 4

variable headspace method 5

other 6


fog chamber 8

16

Table 2. Physical constant data for polycyclic aromatic hydrocarbons (PAHs)

17

W3

<

0£

B

i

.os

3Os

H

Phase

1

cs »o r- 1-H NO NO NO NO NO NO NO vO NO NO

Pi

O CMO o o COo o (So (So cso cso cso cso cso fSo cso cso cso cso cso o O o o o o o o o o oValu

.27E- .27E- .75E- .74E- .22E- .23E- ,91E- .90E- ,72E- ,75E- ,34E- ,31E- .42E- .42E- .30E- .50E- .50E- .57E- .59E- .23E- .59E- .14E- .49E- ,88E- ,72E-

1

00

60E- 80E-

OOE-

50E-

I—

(

1—

1

1-H «s <s cs (S f<^ r- cs cs cs NO NO o ON

TempUo

<svn

o o 14.1 14.1 18.3 18.3 22.4 22.4 24.6 24.6 cs cs csincs cs

28.7 28.7 35.4 39.3 44.7 47.5 50.1 54.7 59.2 64.5 65.1 69.8 70.7

I.D.

hod>o o >n "n »n to m >n >n in

en cn1-H 1-H

cs' cs" cn cS cs' cs" cs' cs' cs' cs' cS of n'

Met

:ular

(null cs <s <s cs cs CS ^. cs cs cs cs ^. cs cs ^. csTi-cs

Ttcs

Ti-

cs

olec00r-

00r-

odr-

oc5

r-odr~

00 odr~

od odr-

od od od odr-

odr-

od1^

odr~-

od od od od od odr~-

od od odr-

od od odr~

od od

Nar

UOUl

Com

:hracene :hracene :hracene :hracene :hracene :hracene :hracene :hraceneihracene

[hracenethracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene

Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am

* r- r- r- r~1

r~1

r-1

r-1 1

:as

1 1

(S (S cs cs1

cs1

cs cs1

cs cs cs cs cs1

cs cs cs

1

1

cs

1 1

cs

1

cs

1 1 1

cs

1

cs

1

cs

to 1O o<s

o orsocs6(S

1o<s

1ocsdcs

1ocsdcs

1ocs

1ocsd to

csdcs

1ocs

1ocsocsocsocsocsocsocsocsocso o

csocs

e1-H VO oo ON o cs CO 00 ON o

cs cscscs

cncs cs cs

NO r~cs

00cs

a\csocn

18

913>

8 2 <N cs, 9 o

I

o<s— o ~O fS

00

' m mIm Q —

O O O ' O P o

oo in

PQ : W W WO O CNi O

p , ^ rn 00

fS cs t-^ r<S

O ON

CO vd

o oo o o+ + +s mo o

pIT)

a9i • eH

0\

oJS

<t Tj- : oo oofS CN cs00

I

00 00 00r-~ r- <N cs^ CN <s

n <Ncn c^CN

iCN

CN CN

CN CN CN CN

^ ^in m

iin

,

in^

DC<a*

OA

Ew

B

>>

Si

©Ml

Sos

0)

S

zsoEBo

CO «C ' c

c

oNc»4j lu u D t;J= -C J= J= ^_aii _D- ,a<, Dh mPQ

;03 ; PQ

I

PQ : s

cs

3CQ

CN

en CO ro

>n>n

I I

VO VO«n m

CN CN

CO

CNCNin m

^ ^1 I 1

cs CN CN mm in '

I I

CN CN CN CN OON ON On

>nCN>n

CO 1rj- m

in m m

19

Phase

*Ref.

cs m CS CS cs CS OOCS CS OO

CS CS 00cs m (S cs r- cs NO NO NO NO NO NO NO

Value 2.00E-03 6.00E-03 1.50E-03 1.40E-04 6.00E-04 5.00E-04 1.20E-02 5.60E-028.00E+00 1.14E+01 3.38E+00 2.81E+00

3.00E-H00

2.03E+00 2.00E+00 1.30E+00 1.75E+02 1.07E+012.60E-01 2.65E-01 2.40E-01

1.98E+00 1.86E+00

2.37E-H00

2.41E+00 3.53E+00 3.84E+00 5.54E+00 6.32E+00

TempUo cs <s cs (S

«ocs cs

r-csmcs

»ncs

<ncs

«ncs

V)cs

«ncs cs cs

«ncs cs cs

>ncsmcs cs cs 24.6 29.9 30.3 38.4 40.1 47.5 50.1

thod

I.D.

cs"

>nts'o

cs'

>o o ocs' cs' cs' cs'

NOcs' cs'

NOcs' cs'

NO

cs'

»ncs' cs' cs'

»ocs'o1-H cs'

"1cs cs'

<ncs' cs'

>ncs'

«ncs'

mcs'

Me

Molecular

WL(amu) 228.3 228.3 228.3 300.36 278.36 278.36 278.36 206.3 156.23 156.23 156.23 156.23 156.23 156.23 156.23 156.23 106.2 156.23

csocs

csocs

(So(S

166.23 166.23 166.23 166.23 166.23 166.23 166.23 166.23

PAHs

solubility

data,

mg

/L,

Common

Name

Chrysene Chrysene Chrysene Coronene

1

,2,5,6-Dibenzanthracene

1,2,5

,6-Dibenzanthracene

1

,2,7,8-Dibenzanthracene

9,

lO-Dimethylanthracene

1

,3-Dimethyhiaphthalene

1

,4-Dimethyhiaphthalene

1

,5-Dimethylnaphthalene

1

,5-Dimethylnaphthalene 2,3-Dimethylnaphthalene 2,3-Dimethylnaphthalene 2,6-Dimethyhiaphthalene 2,6-Dimethyhiaphthalene

Ethylbenzene

1

-Ethylnaphthalene

Ruoranthene

Fluoranthene Fluoranthene

Fluorene Fluorene Fluorene Fluorene Fluorene Fluorene Fluorene Fluorene

1.

Aqueous

CAS#218-01-9 218-01-9 218-01-9 191-07-1

53-70-3 53-70-3 58-70-3

781-43-1 575-41-7 571-58-4 571-61-9 571-61-9 581-40-8 581-40-8 581-40-2 581-40-2 100-41-4

1127-76-0

206-44-0 206-44-0 206-44-0

86-73-7 86-73-7 86-73-7 86-73-7 86-73-7 86-73-7186-73-7

186-73-7

*

Table Entry

so 00m ON oNO

1-H

NO(SNO

CONO 3 m

NONONO NO

00NO

OnNOo ^H cs CO NO r~

r-00 ON

r-ooo

1-H

00cs00

CO00 00

20

Phase

Ref.#

so o NO NO NO NO cs

Value 6.35E+00 8.02E+00 1.02E+01 1.09E+01 1.41E+01 1.93E+01 2.06E+01 2.25E+013.90E-02

3.21E+013.18E-02 2.42E-02 2.42E-02 1.91E-02 1.89E-02 1.45E-02 1.44E-02

l.llE-02

1.12E-02 9.43E-03 9.53E-03 8.48E-03 8.57E-03 7.06E-03 7.00E-03 2.61E-01 8.00E-04 2.90E-032.85E+01

1

TempUe

50.2 54.7 59.2 60.5 65.1 70.7 71.9 73.4in«s

31.1 31.1fS (S

23.1 23.1 00CO00

ONCO

OnCO

00

d00

d 1-H

ON OnCONO

CONOm<s

infS

incs

thod

I.D.

in m <nrfm

rfm m in

ri ciONrn

ONcn

1-HONcn

ONCO

1-HOnCO

1-HON^

co"

OnCO*"

1-HONco"

1-HCNfot—i

r- r>~

<s

Me

Molecular

Wt

(amu)

166.23 166.23 166.23 166.23 166.23 166.23 166.23 166.23 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26

NONO 142.2

solubility

data,

mg

/L,

PAHs

Common

Name

FluoreneRuorene

Fluorene Fluorene Fluorene Fluorene Fluorene Fluorene

2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 9-Methylanthracene

5-Methylbenz[a

Jpyrene

3-Methylchloanthrene

1

-Methy

Inaphthalene

I.

Aqueous

CAS#

86-73-7 86-73-7 86-73-7 86-73-7 86-73-7 86-73-7 86-73-7 86-73-7

1

cs

1mI—

1

NO

<s

cA

NO

(S

1

NO

cs

1mNO

r4

cA

NO

613-12-7 613-12-7 613-12-7

(N

1

fO1-H

NO

r~1

CO1-H

NO

613-12-7

(N

1

CO

NO

613-12-7

CN

1

CO

NO

r-1

CN

1

CO

NO

(N

CO

NO

613-12-7 779-02-2

!56-49-5 90-12-0

Table

2.i

Entry

#>o00 OO

r~00

0000

ON00oOn

1—

I

ON ONCOON ON

mOn

NOOn ON

00On

OnONoo

1-H

o cso COO o mo NOO r-o 00o ONo o (NT—

1

CO

21

CO

oo

o

o

p3

T3I—

>

Ccd•<—

>

COCJ

13_o'1/5

(N

0£

i

I/}

sos

4^

9a

nooJS

c

4-*

0) 0)

c

^-^

JS

I

c

Si

c

00

cJS

On

c

JS4-*

J34—1

JS•4-t

J3 X!a.

B

JS

cJS

c4)JS

JS

B<UJSa*

JS

BJS

JS

BuoJS4-)

JS

B1)B

JS

JS§-

00

uB0)

13JS

JSCucd

On

CO

00

B

13

ed

00

(UBO13

as

00

B

JS

JS

00

B

so

00

I•SJS

OS

VO SO

O 1 o+ +

00 ! m mr-; ^ en

f<S vn

00

B

13JS

JS

On

00 00

B

13JS

JS

OS

B

On

22

aE

H

co

I

s:(J

1i

>^o

Oh

Coo

o

1

3

9i

9•a>

e

e

5

.as©

9

S

H

o+

00

O+<sso

00

00

o+WCO00

d

00

00

o+PQIT)o

sovn

00

00

VO

o+w•n

00

00CO

VO

COo+WONcn

en

00

oo

o+Uiom

oo

oo

o+

d

00

00

o+oen

d

00

00

o+PQo

On

d

00

oo

o+

IT)

ON

o+pq

ON

o+oOn

o+WOCO

ON

o+

ONin

o+wo00

COOS

o+

CO

IT)

oo

oo

oo

00CO

CO

00

00CO

CO

00

00CO

co"

00

00CO

oo

00CO

c^r

oo

00

o+aocn

co"

00CO

o+

O

CO

d

co'

00

ooca

o+

o

CO

CO

co"

o+PLlOin

00CO

co'

00

ooCO

oo

CO

oo

CO

I

woo

CO

COo+oso

IT)

CO

CO

oo+PL)

ONCO

inCO

ooCO

oo+

o

NO VO NO

o o oo o o+ +' +so

, On CO

co"

COmCO

ca00

co'

CO

00

VO

co'

CO00

NO

CO

mCO

CO00

On

ONCO

CO

00

CO

dCO

mco"

CO

00

a(U

•S

CM

COIO

CO

On

§13

•S

a,as

Z

COIo

CO

ON

5

c

-a5

COIo

CO

On

1>C

13

COIo

CO

On

C

13

COIo

CO

<uBt)

13

•S

COIo

CO

NO

ON ON

OO

ca13

•S

COIo

CO

ON

c(U

13

CO

dCO

On

O«n

n

cn

COIo

CO

as

CO

o

0\

ONO

B

-B

z

COIO

CO

ON

Bs

z

COIo

CO

On

I

Z

COIo

CO

ON

§13

Z

oCO

I

ON

VOCOVO NO

»nmI

00On

B

OO

m00

NONO

00

>n00

NO

BaB(U

(1^

00

>noo

B

00

ONNO

B E-B

00

oo i 00I-

23

SO

o ^

O

ue

ON

0£

So.

S"o

OSa-

00 00 00 00 00 oo oo 00 oo 00 oo 00 oo oo 00 00 00 oo oo 00 oo oo 00 00 oo 00 oo

G00 On

ON: o

On,O

24

s

>

aS UH

so VO

5

VO

ow

o

so VO

wo

VO

WO"itOOn

dVO

so

oo+

so

so

OO+oOS

OS

so

oo+usoCM

o1

Wmso

CMo+O+

O

so

o+PJ

iri

o

+ori

oI

uoo

00en

oJS

in

s<

s

i(«

Sos

H

4^

s

zso6Eo

so SO

O

SO

o

so

o

VOcs

o

so

o

so

o

VO(S

o

so

o

so

o

so

o Ov OSO

0000

c

ooI

Ov

o

ooI

OS

o

ood\

OoI

ov

soo

(DB

ooI

Ov

o

ooI

Ov

8I

Ov

OvO o

0)c

8Ov

ooOv

B

mI

0000

I

ooo

c

cnI

oooo

ooo

0)c

00oo

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00 00 oo 00 00 00

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+ +w w^ I oin ON

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c

a.

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IT)

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31

Table 3. Physical constant data for chlorinated aliphatics

32

Phase

Ref.

o O o o o o o o o o o o o o o o O o o o o o o o o o o O

Value .60E+02

CSo+oso

.OOE+02 .OOE+01 .OOE+01

.20E+02 .04E+03 .37E+03 .82E+03 ,52E+03

OOE+Ol

.40E+02 ,20E+02

OOE+Ol

,10E+02 ,40E+02 .70E+02 ,60E+02 ,00E+02 ,02E+03 ,00E+02 .50E+02 80E+02 20E+02 29E+03 .37E+03 ,75E+03 20E+02

CN cs CO CO oo cs r- 1—

1

c^ C^l CO CO

aTemUo

o OCOo o

csoCOo o

csoCOmCOo o

csoCOo o

csoCO

>nCOo o

csofOo o

csoCO CO

o ocsoCOo o

c^

,

chlorinated

aliphatics

Method

I.D.

SO so o so so SO so so so so so so so so so so so so so so so so so so so so so so

Molecular

wt.

(amu)

163.83 163.83 163.83 252.8 252.8 252.8 153.82 153.82 153.82 153.82 208.28 208.28 208.28 173.82 173.82 173.82 173.82 98.93 98.93 98.93 98.93 98.93 98.93 98.93 96.93 96.93 96.93 96.93

law

constant

data,

Pa

/

mol

Common

Name

Bromodichloromethane Bromodichloromethane Bromodichloromethane

Bromoform Bromoform Bromoform

Carbon

tetrachloride

Carbon

tetrachloride

Carbon

tetrachloride

Carbon

tetrachloride

Chlorodibromomethane Chlorodibromomethane Chlorodibromomethane

Dibromomethane Dibromomethane Dibromomethane Dibromomethane

1,

1-Dichloroethane

1,1

-Dichloroethane

1,1

-Dichloroethane

1,

2-Dichloroethane

1,

2-Dichloroethane

1

,2-Dichloroethane

1,

2-Dichloroethane

1,1

-Dichloroethylene

1,1

-Dichloroethylene

1,1

-Dichloroethylene

cis

-

1

,2-Dichloroethylene

iry's

1

#S cs cs cs »n >n >n

124-48-1 124-48-1

00CO

1

CO1

CO1

CO1

CO1

CO1

CO1

cs1

C^l1

c^1 OS

1.

Hei nOS

1

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>oOS

1

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1

CO CO1

CO1

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r-

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1

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1

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in

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r~-

1m 1

>n1m m 1

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cs uo V)r-

tor-o o o

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in inr~

in

Table

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cs

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so

CO CO

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CO<nCO

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mmCO

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r~-

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33

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c

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34

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B

o

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On

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35

Table 4. Physical constant data for polychlorinated biphenyls (PCBs)

36

0)

s

>

a.

« -

a.3

ON

pqo00in

o

oo+wo

o

oo+w

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uo.3

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ocs

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cncscs

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cncscs

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cncscs

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5 50\ o

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CN

37

Phase supercooled supercooled supercooled supercooled supercooled supercooled supercooled supercooled

Ref.

0<N0 0

CN01—

(

csVO 00

CO0 as

CO0 as 0

CMsoCO

asCO

ONCO0 0 as

CO0 ON

CO0r—

1

0cs

ONCO

asCO0 0

CSVOCS

ONCO

a 0 0 CO01—1

0 CM0 r—

1

fS0 0 0 0oi0 0 0 0 z cs0 CS0 0 0 I—

1

0 <N0 CS'0 0 0 0Valu

.54E- .99E- .91E- .47E- .41E- .63E- .04E- .20E- ,95E- .93E- .48E-48EH

.09E- .07E- .99E- .48E- .82E- ,95E- ,42E- ,23E^ .23E- ,53E- ,51E- ,38E- 86E- 86E- 17E- 66E- 43E-

CO CO VO CM CO VO in CN c^ in cs VO cs cs cs co 00 cs

TempU0

in in in in incs

in vn in<s0cs

incs

incs

in(S0CN0cs

incs

incs0cs

incs0cs

incs

incs0cs0cs

incs

incs

incs0cs

-a

Methi IDVD

csVO^

co'CN cs cs I—

1

cs cs cs cs

(PCBs)Molecular

Wt.

(amu)

CO CO(NCN

CO

cs

CO

cs

CO

cs

CO

<s

COts

CO(N<S

257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54

[phenyl

.0

*^ac'u

Nai

imonlenyl

iphenyl iphenyl iphenyl

lenyl lenyl lenyl lenyl

iphenyl iphenyl Iphenyl Iphenyl iphenyl iphenyl[phenyl

iphenyl

Dbiphenyl

iphenyl

[phenyl

Dbiphenyl

5henyl iphenyl iphenyl iphenyl iphenyl iphenyl iphenyl iphenyl iphenyl

>^"o

ti0 a. .& 0. a. a. obi •obi

[qo.

obi obi obi :obi :obi :obi :obiIS

[qoj

:obi :obirobi robi

iqoj iqojrobi

•ichlorotichlorobi ichlorobi ichlorobi

ichlorob ichlorot •ichloroh ichlorot-Trichloi -Trichloi -Trichloi -Trichloi Trichloi -Trichloi -Trichloi Trichloi

rrichlorc-Trichloi Trichloi

Trichlon Trichlon

Trichloi Trichloi -Trichloi -Trichloi -Trichloi -Trichloi -Trichloi -Trichloi

Ofi

B1 Q Q Q o

1

u1

0 Q1

CO CO in <n m m <o VO 1 1

>n1

vq_in in in VO^

^^

Sat

CO1 1 1

>n rJ cs cs CN cs cs cs cs CO CO CO^ co' CO CO CO CO *' *' '*'

en CO CO CO cs cs' cs cs' cs cs' cs' cs' cs' cs' cs' cs' r4 cs' c^f cs' cs'

*«:

U in in <n m VO VO 00 00 00 00 00 as I—

I

cscscs

cscs

COcs

rl-cs

VOcs

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00cs

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00cs

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solubili

B

I.

Aqueous

CAS#

2050-67-1 2974-92-7 2974-92-7

31883-41-5

2050-68-2 2050-68-2 2050-68-2 2050-68-2

38444-78-9 38444-78-9 37680-65-2 37680-65-2 37680-65-2 37680-65-2 37680-65-2 38444-73-4 55702-46-0 38444-85-8 38444-85-8 55720-44-0

5872-45-9

38444-81-4 38444-81-4 38444-81-4 38444-76-7

7012-37-5 7012-37-5

17012-37-5

7012-37-5

Table

4.j

ntry

#424

in

Ti-(N

cd<N

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COCO CO

inCO

VOCO CO

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Ref.#

OSCOo OS

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T-HrH

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oCS 7—1

socs

ValueO.OOE+OO

1.03E-04 00+3000O.OOE+OO

4.56E-05 1.14E-04 1.47E-04 3.93E-04 2.12E-04 7.65E-04 8.80E-05O.OOE+OO O.OOE+OO

2.66E-06 2.54E-05 5.08E-05 6.56E-05 1.31E-04 1.20E-05O.OOE+OO O.OOE+OO

1.79E-05 1.26E-07 6.48E-07 7.43E-06 8.38E-06 1.76E-05 4.95E-05 4.00E-07

TempUe

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Method ID cs cs csso

't

so as so socs cs

so so so socs cs

OS,—1

so as so

't

so so

(PCBs)Molecular

Wt

(amu)

429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 462.21 462.21 462.21 462.21 462.21 462.21 462.21 462.21 462.21 498.66 498.66 498.66 498.66 498.66498.66

i

498.66

L,

polychlorinated

biphenyls

Common

Name

,4,4'

,5,6-Octachlorobiphenyl

,4,4'

,6,6'-Octachlorobiphenyl

,4,5,5'

,6-Octachlorobiphenyl

,4,5'

,6,6'-Octachlorobiphenyl

,5,5',6,6',-Octachlorobiphenyl ,5,5',6,6',-Octachlorobiphenyl

,5,5'

,6,6'

,-Octachlorobiphenyl

,5,5'

,6,6'


,5,5'

,6,6'

,-Octachlorobiphenyl ,5,5',6,6',-Octachlorobiphenyl

,5

,5'

,6,6'


,3

,4,4'

,5,5

'


3'

,4,4'

,5,5'


,4,4'

,5,5

'

,6-Nonachlorobiphenyl

,4,4'

,5,5'


,4,4'

,5,5'

,6-Nonachlorobiphenyl ,4,4',5,5',6-Nonachlorobiphenyl ,4,4',5,5',6-Nonachlorobiphenyl

,4,4

',5

,5'


,4,4

',5

,5'


,4,4'

,5,6,6'-Nonachlorobiphenyl

,4,5,5'

,6,6'-Nanochlorobiphenyl

,4,4',5,5',6,6'-Decachlorobiphenyl ,4,4',5,5',6,6'-Decachlorobiphenyl

,4,4'

,5,5'

,6,6'-Decachlorobiphenyl ,4,4',5,5',6,6'-Decachlorobiphenyl

,4,4'

,5,5'

,6,6'-Decachlorobiphenyl ,4,4',5,5',6,6'-Decachlorobiphenyl

,4,4'

,5

,5'

,6,6'

-Decachlorobiphenyl

,3,3'COco'

,3,3'COco'

co_^

co',3,3' ,3,3' ,3,3' ,3,3' ,3,3' ,3,3' ,3,3' ,3,3'

CO.

co'

co^

co',3,3' ,3,3'

co^

co',3,3' ,3,3' ,3,3' ,3,3'

co_

co'

co^

co'

fO^

fo'

ro_.

co',3,3'

I.

Aqueous

solubility

data,

n cscs'

cscs

cscs'

cscs'

cscs'

csCvf

cscs'

cscs'

cscs'

cscs'

cscs'

cscs'

COcs'

cscs'

cscs'

cscs'

cs

cs'

cscs'

cscs'

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cscs'

cscs'

cs

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OSOCS

OSocs

OSocs

OSocs

OSocs

OSOCS

CAS#

52663-78-2 33091-17-7 68194-17-2

2136-99-4 2136-99-4 2136-99-4 2136-99-4 2136-99-4 2136-99-4 2136-99-4 2136-99-4

52663-76-0 74472-53-0 40186-72-9 40186-72-9 40186-72-9 40186-72-9 40186-72-9 40186-72-9 40186-72-9 52663-79-3 52663-77-1

2051-24-3 2051-24-3 2051-24-3 2051-24-3 2051-24-3 2051-24-3

12051-24-3

Table

4.j

Entry*

IT)

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00 —O Ov

I I

ON ir>

CS oO VOCO VO

VO VOI Io o

00 00I I

ON ONvO VOm min

,

incs cs

cn

O COmr I

•<1- CO00 00cs 00

CO

I

CO00 : 0000 00

CO CO

ON OnCO CO

I I

fO ' CO00

I

0000 00

CO ;

0000 00

CO CO

ON ONCO CO

I I

CO CO00 0000 00

CO CO

ON mCO

I 1 VOCO VO I I

00 o00 — in

,

CO OCO : CO cs

csVO ' ON

I Io ^m r-O ONcs , cs

cs csON On

00r- r- 00On ON —CS

ICS

1CO

B

VO

00.00

— cscs cs00 1 00

W) VOcs cs00

i

00

00cs , cs00 00

OS Ocs , CO00 00

cs COCO CO00

,00

' m VOro CO cn00 00

I

00

00CO CO00

I00

ON ' O —m --t00 i 00

,00

53

Phase

distilled

water

j

seawater

distilled

water

seawater

Ref.#

oLZ-OZ

cncno O

inOino m

cnoinoin

incno o

1—1o in

cno

20;27o

20;27incn

vocn

vocn

vom vocn

vocn

vocn

vocno

Value 2.27E+01

2.02E-H01

9.67E+00 2.54E+01 8.13E+01 3.20E+02

3.24E-f01

2.50E+01

l.OlE+02

2.71E+02 2.30E+01

2.30E-H01 1.94E-h01 3.22E-H01 2.20E-I-01

3.02E+01

3.29E-h01

2.90E+01

3.20E-I-012.00EH-01

8.70E-I-00

2.12E+01 4.74E+01

5.03E-I-01 7.08E-I-01 1.21E-h02

1.22E+02 3.00E+01

TempUo

m inCN

inCM

incs

cncs

cnCNmCNmCN

cncs

cncs

incs

inCN

inCN

inCN

inCN

inCN

inCN

inCN

inCN

inCN

10.4 ocs

30.1 34.9 42.1 47.9 48.4incs

phenyls

(PCBs)

ethod

ID CN CN CS vo cs cs vo vo r—

I

CN 1—1 CN vo

Molecular

WL

(amu)

223.1 223.1 223.1 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54

constant

data,

Pa

m''

/mol,

polychlorinated

hi]

Conunon

Name

4,4'

-Dichlorobiphenyl

4,4'

-Dichlorobiphenyl

4,4'

-Dichlorobiphenyl

2,2'

,3-Trichlorobiphenyl

2,2'


2,2'


2,2'


2,2'


2,2'


2,2'


2,2'


2,3,4-Trichlorobiphenyl

2,3,4'-Trichlorobiphenyl

2,3,5

'

-Trichlorobiphenyl


2,3

'


2,3

'


2,4,4'

-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl 2,4,4'-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl 2,4,4'-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl

12,4,4'

-Trichlorobiphenyl


It

B

in in in vo vo 00 00 00 00 o\ csCN

cnCN

voCN

voCN

00CN

00CN

00CN

00cs

00cs

00cs

00cs

oocs

00cs

00cs

ONCS

Table

4.C.

Henry's

law

CAS#

2050-68-2 2050-68-2 2050-68-2

38444-78-9 38444-78-9 38444-78-9 37680-65-2 37680-65-2 37680-65-2 37680-65-2 38444-73-4 55702-46-0 38444-85-8 55720-44-0

5872-45-9

38444-81-4 38444-81-4

7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5

15862-07-4

Entry*

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00

cn

00 00 00

vo

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00

ON

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vom00m00

00«n00

a\m00

ovo00

r-H

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54

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c

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NO NO

56

Phase

Ref.#

oCOO

20;27o o o O O o >n

COoo o

20;27 20;27O o o o in

COo

LZ-OZmCO

inCOmCOmCOo m

CO

Value 2.17E+01

l.OOE+0

1

1.03E+01 9.52E+00 2.00E+01 3.80E+01

1.48E-h01

1.86E+01 3.04E+01 1.82E+01 7.40E+00

l.llE+01

2.48E+01 2.54E+01 9.09E+01

l.OlE+01

1.45E+01 2.99E+01 1.27E+01

5.60E-hOO

1.05E+01 3.06E+00

1.30E-t-00

2.90E+00

3.70E-hOO

4.40E-H00 2.06E-h01 4.90E-h00

TempUe CS

>nCS CN

>nCN

>nCS CN CN

>nCN CN CN CS

toCN

»nCN

«nCN

»nCNmCN

lOCN

inCNmCNmCN

inCN

inCN

inCNmCN

>nCN

inCNmCN

inCS

PCBs)

Method ID so CN NO CN CS NO CN NO NO NO NO NO

phenyls

(Molecular

wt.

(amu)

291.99 291.99 291.99 291.99 291.99 291.99 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 360.88 360.88 360.88 360.88 360.88 360.88 360.88 360.88

c'u

a"o

SCommon

Name

2,4,4'

,5-Tetrachlorobiphenyl

2,4,4'

,5-Tetrachlorobiphenyl

3,3',4,4'-Tetrachlorobiphenyl 3,3',4,4'-Tetrachlorobiphenyl

3,3

'

,4,5

'

-Tetrachlorobiphenyl

3,3',5

,5'

-Tetrachlorobipheny

1

2,2

',3

,3'

,4-Pentachlorobiphenyl 2,2',3,4,5'-Pentachlorobiphenyl 2,2',3,5',6-Pentachlorobiphenyl

2,2'

,3'

,4,5-Pentachlorobiphenyl 2,2',3',4,5-Pentachlorobiphenyl 2,2',4,5,5'-Pentachlorobiphenyl 2,2',4,5,5'-Pentachlorobiphenyl 2,2',4,5,5'-Pentachlorobiphenyl

2,2

'

,4,6,6'

-Pentachlorobiphenyl 2,3,3',4,4'-Pentachlorobiphenyl

2,3,4,4',

5-PentachlorobiphenyI

2,3

,4,5

,6-Pentachlorobipheny

1

2,3',4,4',5-Pentachlorobiphenyl 2,3',4,5,5'-Pentachlorobiphenyl

cuo-ISo

oCSXuDC

COCO

CScs'

2,2',3,3',4,4'-Hexachlorobiphenyl

2,2'

,3,3'

,4,4'

-Hexachlorobiphenyl

2,2',3,3',4,5-Hexachlorobiphenyl

c(Us:a.IBoi-i

_o

oCS

X

EC

NO*'

COCO

CScs'

>>cx:9-

oii_o

oCSXuXin

>n

CO

co'

CS

cs'

2,2',3,3',5,6-Hexachlorobiphenyl

constant

d

2r~

On ooo

CN00

r-00

«nON On

r--On o

f—i

o o o inO NO 00 oCN

00CN

00CN

00CN

asCNOCO

CNCO

COCO CO

Table

4.C.

Henry's

law

CAS#

32690-93-0 32690-93-0 32598-13-3 32598-13-3 41464-48-6 33284-52-5 52663-62-4 38380-02-8 38379-99-6 41464-51-1 41464-51-1 37680-73-2 37680-73-2 37680-73-2 56558-16-8 32598-14-4 74472-37-0 18259-05-7

31508-0-6

68194-12-7 38380-07-3 38380-07-3 38380-07-3 55215-18-4 52663-66-8 38380-05-1

35694-4-3

52704-70-8

Entry

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NOCNOn

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cs

NO

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>^Xou'>

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c

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C3

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in

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in

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S

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u

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1)

u

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c

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x'o

3XOCO

59

Table 5. Physical constant data for chlorinated benzenes

60

Table

5.a.

Aqueous

solubility

data,

mg

/L,

chlorinated

benzenes

Phase

Table

5.b.

Vapor

pressure

data.

Pa,

chlorinated

benzenes

Phase

Table

5.c.

Henry's

law

constant

data.

Pa

/

mol,

chlorinated

benzenes

Phase

Ref.# cs csRef.#

NO r-co

r-CO

Value 2.95E+02 9.23E+01 1.25E+02 3.09E+01 1.23E+01 4.61E+01 4.12E+00 1.22E+01 2.89E+00 2.35E+008.31E-01 Value

3.49E+00Value 3.82E+02 2.47E+02 2.85E+02

TempUe

mcsm m

<s<n m vn

<N <N>n

fS Temp e«ncs Temp

Uo

>r>

<so >n

Method

I.D.

ON4"

On o ON On ON4"

On

<t

On4 ON ON ON4Method

I.D.

Method

I.D.

cs CO cn

Molecular

=

^

112.56 147.01 147.01 147.01 181.45 181.45 181.45 215.9 215.9

1

215.9 250.34Molecular

WL

(amu)

215.9Molecular

WL

(amu)

112.56

I

112.56 112.56

—

Common

Name

Chlorobenzene

o

-dichlorobenzene

m

-dichlorobenzene

p

-dichlorobenzene

1

,2,3-trichlorobenzene

1


1


1,2,3

,4-tetrachlorobenzene

1

,2,3,5-tetrachlorobenzene

1


pentachlorobenzene

Common

Name

1


Common

Name

Chlorobenzene Chlorobenzene Chlorobenzene

CAS#108-90-7

95-50-1

541-73-1 106-46-7

87-61-6

120-82-1 108-70-3 634-66-2 634-90-2

95-94-3

608-93-5

CAS#634-66-2

CAS#108-90-7

1108-90-7

j

108-90-7

Entry*8

j

1004 8VO

800

8 8oo 1011 O

CO

O Entry

#1014

£•

a1015 1016 1017

61

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c:ua.

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c

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00oNO

woI

COa\

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On

I

CO

I

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J3

B

I

COON

I

oooNO

woo

Table 6. Physical constant data for polychlorinated dibenzo-/7-dioxins

64

Phase

Ref.# «scscs

cscs

cncs

cncs

cscs

cscs

cncs

cscs

CScs

cncs

cnCN cn

cncs

cncs cn

CNCS

CScs

cncs

cscs cn

ON ON ON ON ON On On

Value 2.12E-01 9.00E-012.39E+00

8.42E-01 4.17E-01 1.33E-01 3.19E-01 2.78E-01 7.49E-01 7.49E-01 1.49E-02 3.75E-03 2.24E-03 1.67E-02 8.41E-03 6.95E-03 1.13E-04 4.70E-04 6.30E-04 1.17E-03 3.88E-04 4.30E-04 1.27E-03 3.20E-04 3.90E-04 1.20E-04 4.60E-04 4.40E-06

xins

TempUe

mcs0

cs«ncs

OScnmcs cs

ONcn

•ncs

«ncs

>ncs

>ncs

>ocs

<ncs

»ocs cs

yr,

cs0

CN0CN0 0

cs0 0

cs0 0

cs

nzo-p

-dio

-thod

I.D.

VO4"

VO4'

VO4"

VO4^

VO VO4^

VO4"

VO4"

VO4'

VO

"«t

VO VO VO4"

VO VO4"

VO VO VO VO VO4"

VO ON

cnOncn

ONcn

ONcn

Oncn

Oncn

ONcn

ilorinated

dibei

Molecular

Wt.(amu) 00 00 00 00 218.5 218.5 218.5 218.5 218.5 218.5

cn»ncs

cn«ncs

cn<ncs

cnmcs

287.5 287.5

cscscn

cscscn

cscscn

csCNcn

cscscn

csCNcn

cs(Sm

csCMcn

csCMm 356.4 356.4 ON

cn

solubility

data,

mg

/L,

polych

Common

Name

Dibenzo-p

-dioxin

c'><

0'^

1

0NC63£>

5Dibenzo-p

-dioxin

Dibenzo-p

-dioxin

l-chloro-

2-Chloro- 2-Chloro- 2-Chloro- 2-ChIoro- 2-Chloro-

2,3-Dichloro- 2,7-Dichloro- 2,7-Dichloro- 2,8-Dichloro-

1,2,4-Trichloro- 1,2,4-TrichIoro-

1,2,3

.4-Tetrachloro- 1,2,3,4-Tetrachloro- 1,2,3,4-Tetrachloro- 1,2,3,4-Tetrachloro- 1,2,3,4-Tetrachloro- 1,2,3,7-Tetrachloro- 1,2,3,7-Tetrachloro-

1

,3,6,8-Tetrachloro-

1

,3,6,8-Tetrachloro-

1,2,3,4,7-Pentachloro- 1,2,3,4,7-Pentachloro-

1,2,3,4,7,8-Hexachloro-

1.

Aqueous

CAS#262-12-4 262-12-4 262-12-4 262-12-4

39227-53-7 39227-54-8 39227-54-8 39227-54-8 39227-54-8 39227-54-8 29446-15-9 33857-26-0 33857-26-0 38964-22-6 39227-58-2 39227-58-2 30746-58-8 30746-58-8 30746-58-8 30746-58-8 30746-58-8 67028-18-6 67028-18-6 30746-58-8 30746-58-8 39227-61-7 39227-61-7

139227-26-8

Table

6.2

Entry

#CN>n0

cn«n0 0

»n

0VO•n0

r-

000•n0

ON«n00VO0 VO0

CNVO0

cnVO0 VO0

>riVO0

VOVO0 VO0

00VO0

OnVO00i>0 0

CN

0cn

0 0»n

0VOr-0 0

00r-0 1079

r

65

Phase Phase supercooled supercooled supercooled supercooled supercooled

law

constant

data,

Pa

/

mol,

polychlorinated

dibenzo-/?

-dioxins

Phase

Ref.#

ON On1—1

ON On ONcs

cscs Ref.# cs cs cs

Ref.#CO CO CO

Table

6.a.

Aqueous

solubility

data,

mg

/L,

polychlorinated

dibenzo-/?

-dioxins,

continued

Value 1.90E-05 2.40E-06 6.30E-06 4.00E-07 2.00E-06 3.10E-07 1.82E-06 7.87E-07

ed

dibenzo-/?

-dioxins

Value 1.04E-04 1.75E-05 3.96E-06 1.02E-06 2.77E-07 Value 5.96E+00 3.64E+00 2.02E+00

Temp eo o

CNo o

cso o o

NOo00 Temp

Ue

«ncsmcs

>ocsmcsmcs Temp

Uo

V)csmcs

incs

Method

LD.

ON(Tt

ONCO

OnCO

ONCO

Onco'

NO NO NO

Method

LD.

r- r- oMethod

LD.

NO NO NO

Molecular Weight ON 425.2 425.2

oNOONO

oVOoNOoNO Molecular Weight

cscsCO

356.4 OnCO

425.2

oNO Molecular Weight

CO>ncs

287.5

CScsCO

Commom

Name


1,2,3,4,6,7,8-Heptachloro- 1,2,3,4,6,7,8-Heptachloro-

Octachloro- Octachloro- Octachloro- Octachloro- Octachloro-

3.

Vapor

pressure

data.

Pa,

polychlorina!

Common

Name

1,2,3,4-Tetrachloro-

1,2,3,7,8-Pentachloro-


1,2,3,4,6,7,8-Heptachloro-

Octachloro-

Common

Name

2,7-Dichloro-

1,2,4-Trichloro-

1,2,3,4-Tetrachloro-

CAS#39227-26-8 35822-46-9 35822-46-9

3268-87-9 3268-87-9 3268-87-9 3268-87-9 3268-87-9 CAS#30746-58-8 40321-76-4 39227-26-8 35822-46-9

3268-87-9

Table

6.C.

Henry's

1

CAS#33857-26-0 39227-58-2

130746-58-8

Entry

# o00o ooo ooo

CO00o 00o

»n00o 1086

i>00o

Table

6.1

Entry

#1088 1089 1090 1091 1092

Entry

#1093 1094 1095

66

I

Table 7. Physical constant data for polychlorinated dibenzofurans

67

oNcoJO

•c

o

I

•a

I"

1

a

0£

S

I

I9"S

i9

ue

4t:

5a

00

8

ON

5

.a

O

a,

C9

Ui

9Vi

uab<oa

i

9-a

e

O

<

a

CO

CO

68

—

1

Phase

1

Ref.#

cn m m CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO fO

4.20E-06

13

Value 2.40E+00

2.20E-I-01 1.50E-H02

6.50E-04 1.70E-02 2.90E-013.20E+00 2.70E+01

3.90E-04 9.10E-03 1.40E-011.40E+00

l.lOE+01

3.00E-05 9.90E-04 2.00E-02 2.60E-01

2.50E-I-00

8.20E-05 3.10E-03 6.80E-02

l.OOE+00 l.OOE+01

4.10E-06 1.90E-04 5.10E-03

cso§00

l.OOE+00

'

TempUe

»n 8 >n »ncso<n

>nr-

«ncs m om m

r- 8 mcs <n

csom »n

f- 8 mcs >n

cso«nmr- §

<ncs >n

csom m

r~oo in

cs mcs

rans,

continue

Method

I.D.

1

dibenzofu Molecular

202.63 202.63 202.63 237.05 237.05 237.05 237.05 237.05 237.05 237.05 237.05 237.05 237.05 271.47 271.47 271.47 271.47 271.47 271.47 271.47 271.47 271.47 271.47 305.89 305.89 305.89 305.89 305.89 305.89

Table

7.b.

Vapor

pressure

data,

Pa,

polychlorinated

Common

Name

3-Chlorodibenzofuran 3-Chlorodibenzofuran 3-Chlorodibenzofuran

2,3-Dichlorodibenzofuran 2,3-Dichlorodibenzofuran 2,3-Dichlorodibenzofuran 2,3-Dichlorodibenzofuran 2,3-Dichlorodibenzofuran 2,8-Dichlorodibenzofuran 2,8-Dichlorodibenzofuran 2,8-Dichlorodibenzofuran 2,8-Dichlorodibenzofuran 2,8-Dichlorodibenzofuran

2,3,8-Trichlorodibenzofuran 2,3,8-Trichlorodibenzofuran 2,3,8-Trichlorodibenzofuran 2,3,8-Trichlorodibenzofuran 2,3,8-Trichlorodibenzofuran 2,4,6-Trichlorodibenzofuran 2,4,6-Trichlorodibenzofuran 2,4,6-Trichlorodibenzofuran

2,4

,6-Trichlorodibenzofuran 2,4,6-Trichlorodibenzofuran

1

,2,3,4-Tetrachlorodibenzofuran

1


1


j

1,2,3,4-Tetrachlorodibenzofuran

1


c

aocu

5o_o

J=o«hH

(S

r4

4oCO00

CAS# 25074-67-3 25074-67-3 25074-67-3 64126-86-9 64126-86-9 64126-86-9 64126-86-9 64126-86-9

5409-83-6 5409-83-6 5409-83-6 5409-83-6 5409-83-6

57117-32-5 57117-32-5 57117-32-5 57117-32-5 57117-32-5 58802-14-5 58802-14-5 58802-14-5 58802-14-5 58802-14-5 24478-72-6 24478-72-6 24478-72-6 24478-72-6 24478-72-6

Entry*

00 OS o cscs

CO in1126

cs00cs

ascsoCO CO

csCO

COCO

11134

mCO CO CO

00CO

OSCOo 5 cs CO 5 >n

69

CO C<1 CO CO cn cn CO CO CO

CO

§ o

.suo

u

"oaCO

uS

0)

aoa>

cs

<

s

70

en en en CO CO en en en

e

5.suo

"ocul

uSMl

CMuo

>

I

00

<

00

e00 On

71

CO (O en CO cn CO CO CO CO CO CO CO CO

B

H

e'Co

ar-

r

B

b«

s1/1

auo&

CS

oo

CS CS CS CS CS <s CS CS CS CS CS CS

OS OS OS OS OS

G

72

06

cn cn cn cn cn cn cn

9

cnO

cn

oI

uoo

cn

ino

1—

c

s oWo

cs

oWo00

OWoON

o

oo

o ou8cn

oI

Woo

I

wooooPJocn

o

cn

OI

mocn

I

woo

cnoI

oqod

oowoo

I

Wo00

cs

oW8

ON cs cs

a§ e

o CN O un wnCN o in

cs o oo <n o»n

oo

S3

3

o

X)

c•c

o

a,

13

ca,

2cx

13o

1

o

ON00u-iocn

ON00

<nocn

0\oo

>nocn

md

cn

dcn

cn

dcn

.a

o2

s(A

auoa n

oah

I

oo

cs

OI

ON

I

CNO0000

NOcn

oNC

o

x:o

cuCL,

I

NO

cnCN

NOI

cnCN

oNCu

o

u

cuOh

NO

cnCN

NOI

cnoo

oNcu

o

o3eu

VO

cn(N

NO

cnoo

ONcnCv)

cn

dcn

oNCu.O

o

NOI

I

cn00

OCN

cn

dcn

oNCuJO

o

s:o2cuCU

I

NO

cnCN

NO

l>

I

scnoo

cn

dcn

oNCu

o

o

cuCL,

CN

OO

NO

CN

CN

cn

dcn

aoNCu

o

cn

dcn

cndcn

cn

d'tcn

00

«n

NO

oNC

p

o2cu

cn(N

OO

IT)

NO

CN

oNe

"•3

p

oBeuOl,

I

00

cnCN

ONe

•3o

o2cuCL,

00't

NO

NO

cn

dcn

aONCu

O

Ic<uQu,

I

r-no'

cn

CN't

in

cn

dcn

aoNCu

ohio

o2c

CL,I

vo'

(N

in

ON

CN

cn

d'tcn

aoNC

o

cuCL,

I

vo'

CN

»n

Oin(N

cn

dcn

ccij

apNC<u.D'•3

oP

o2cu

,

rn

CN

CN

cn

d'tcn

c

apNC

o

Sio

c0)

Oh

00^

cn

NO

in

(Nin(N

cn

d'tcn

Bto

apc

p

o2cuCL,

I

cn

(N

NO

in

cn

d'tcn

c

apNc

o

o2coOh

I

OO

cn(N

NO

in

'si-

in(N

cn

d'^cn

apS)c

O

2c<uOh

,

00

rn(N

NO

m

cn

dTi-en

c

apNC

"3o

o(3

C4)CL,

I

00

cnCN

NO

>n

NO»n(N

cn

dcn

aoNC4)

O

o

CuCL,

NO

r-mCN

cn

d'*cn

cn

dcn

apNC

o

o2c1)

Oht

no'

cs'

oin

I

'*Or-cn00

cn

dcn

pB4)

P

o

c<u

Oh

vd^'

ri

OmI

Ocn00

ON I Oin

! NO

cn

dcn

pNCU

•3p

o2cuOh I

vo'l no'

(N CN

omI

ocn i cn00 I 00

—' <N

NO NOCN

73

CO cn CO CO cn CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO

.suO

u9Ml

uaoa

e

74

Phase

Ref.#

fO CO fo cn ro CO fO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO

Value 3.60E-01 3.20E-07 1.90E-05 6.10E-04 1.20E-02 1.70E-01

{

2.50E-07 1.40E-05 4.50E-04 8.90E-03 1.20E-01 3.50E-07 2.17E-05 2.10E-05 6.70E-04 1.40E-02 1.90E-01 3.20E-08 2.30E-06 9.00E-05 2.20E-03 3.50E-02 2.90E-08 2.10E-06 8.10E-05 1.90E-03 3.10E-02 5.50E-08 4.20E-06

rempUe

»nn »n o»n

>o 8 »n m<so>n

>n mCN,—1 (N

mcso>n CN in

CNo>n

inr-oo m

CN,—1

inCNoin

inr-

oor—

1

inCN

inCN

om

se

—

irans,

contii

Method

1.1

1

dibenzofu Molecular

wt.

(amu)

340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73

!

374.73

).

Vapor

pressure

data,

Pa,

polychlorinated

Common

Name

1,3,4,7,8-Pentachlorodibenzofuran 2,3,4,6,7-Pentachlorodibenzofuran

2,3,4,6,7-Pentachlorodibenzofiiran

2,3,4,6,7-Pentachlorodibenzofuran 2,3,4,6,7-Pentachlorodibenzofuran

2,3,4,6,7

-Pentachlorodibenzofuran 2,3,4,6,8-Pentachlorodibenzofuran 2,3,4,6,8-Pentachlorodibenzofuran 2,3,4,6,8-Pentachlorodibenzofuran 2,3,4,6,8-Pentachlorodibenzofuran 2,3,4,6,8-Pentachlorodibenzofuran 2,3,4,7,8-Pentachlorodibenzofuran 2,3,4,7,8-Pentachlorodibenzofuran 2,3,4,7,8-Pentachlorodibenzofuran

2,3,4,7,

8-Pentachlorodibenzofuran 2,3,4,7,8-Pentachlorodibenzofuran 2,3,4,7,8-Pentachlorodibenzofuran

1,2,3,4,6,7-Hexachlorodibenzofuran 1,2,3,4,6,7-Hexachlorodibenzofuran 1,2,3,4,6,7-Hexachlorodibenzofuran 1,2,3,4,6,7-Hexachlorodibenzofuran 1,2,3,4,6,7-Hexachlorodibenzofuran 1,2,3,4,6,8-Hexachlorodibenzofuran 1,2,3,4,6,8-Hexachlorodibenzofuran 1,2,3,4,6,8-Hexachlorodibenzofuran 1,2,3,4,6,8-Hexachlorodibenzofuran 1,2,3,4,6,8-Hexachlorodibenzofuran 1,2,3,4,6,9-Hexachlorodibenzofuran

1,2,

3

,4,6,9-Hexachlorodibenzofuran

CAS# 58802-16-7 57117-43-8 57117-43-8 57117-43-8 57117-43-8 57117-43-8 67481-22-5 67481-22-5 67481-22-5 67481-22-5 67481-22-5 51207-31-4 51207-31-4 51207-31-4 51207-31-4 51207-31-4 51207-31-4 79060-60-9 79060-60-9 79060-60-9 79060-60-9 79060-60-9 69698-60-8 69698-60-8 69698-60-8 69698-60-8 69698-60-8 91538-83-9 91538-83-9

Table

7.1

Entry*

cs

(N

cnOS<N

Ti-On<N

«nOn

1296 1297

00On(N

OSON o

COoCO

COoCOSCO

»noCO

\ooCOoCO

00oCO

ONoCO

or—

1

CO CO

CN

CO

CO

CO CO

in

CO

NO

CO CO

00

CO 1319

oCNCO

75

Phase

en CO m en CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO

00 vO in CO 00 NO s CO 00 NO in CO oo NO CO (N 00 CO cs

—00

(u O1

o1

o1

o1

o1

o O1

o o O o o o O o o o o O O O o o o o o oB73

M-lrrlw M-l

1w 1

W1

W1 1 1

M-l

1

w w1

W1

W1

tM1

w1

w1 1 1

u1

PQ1 1

W1

uO O O o O o o O O O o o o O o o o o o o o o o> fS o (S CO <N 'O 00 00 1-H On in o m CO in in NO o 'Oen cs On rvi CO CO 1-H c4 C4 rj 00 CO CO CO in CO cs

rempUe

>n oo in

1—1

in oin

in oo1-H

•n<s in o

inmr--

oo1-H

incs in

CSoin

in oo in

1-H

inCNoin

in oo1-H

in

1-H

in oin

in oo 125

i-in

nued

rans,

contii

Method

I.]

1 ba s CO CO en cn m CO CO CO CO co CO CO CO CO CO CO CO CO CO CO CO CO CO CO co CO CO CO

g 1r~ r~ r-

Qi

uu ''t

^" ^' ^" ^'

"o r>~ r--

s cn m CO CO CO CO CO CO CO CO CO co CO CO CO CO CO CO CO CO CO CO CO CO CO co

c c c c c c c B c B B B B B Bfura fura fura

a <a a a a a a.sU

fur fur fur fiir fur fur fur2

fur fur fur fur fur fur fur fur fur fiir fur fur fur fur fur fur fur

o o o o o o o o o o o o o o o o o o o o o o O o o o o oo N N N N N N N N N N N N N N N N N N N N N N N Ni

N s: NS L

C C C C C C C C C c C C C C C C C C C C B B B B B B B Bu u u (L> u u u u !> u U U <U U U U (U U

mm.O JO JD X) Xi X)

3 •3 •3 "3 -3 -3 '"3'•B •3 •3 "3 •3 '•B '•B '•B •3 =3 1o z 2 o o o o o O o o 2 o o o o o O o o o o

IhoI-I

oI-I

oIh 2 2 2 o

I-I 2 2a aI-I

_oI-I

_o _oii_o

I-I

_oIH_o

I-I

_ou_o _o

V-_o

I-I

_oIH IH IH

_oiH_o

I-I

_o _o _o o _o _o _o _o _o

a: Ic IS Is 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2

o o u o o o o u o o o o o o o o <jCJ CS !^ ca a CJ CO CS C3 C8 C3 CO C8 C3 CO

X X X X X X X X X X X X X X X X X X X X X X X X X X X X Xu u u u u u D <u o u o <u u u u u o <u u u U <u

u OC ad I I DC T' X a X X X X X X X X DC1

a: X1

X X1

a: X1

X X1

On On1

On oo1

oo 001

001

001

On. CTN CTN CTN 00 oo_^

1

00 On On ON On^ ON 00 00 co_ CTN

-o vd r-' t-T r-" r-' oo' oo' oo' OO oo' r-' r-' r-' r~-' r~-' r-'

^^ no' no" NO NO^ NO^ NO^ NO^ NO no' so' no' no' no'

pressur

en <^ rn CO CO CO CO CO CO CO CO CO co' fO' CO CO^ CO CO' CO ro' *' *' ^' '*'

ri ri r4" (N fS cs cs rJ c^r Csf (S (S ri (N r4" cs' cs cs ri CS CN

On On ON OS ON On On O O O O On ON ON ON On 00 OO 00 00 001 1

r-1

O1

Vapor

1 i

CO1

NO NO NO NO1 1 1 1 1 1 1 1 1 1

00i

oo 001

001

001O 1O o o o CM

00 oo 00 (S <N (S (S 00 00 oo oo 00 CO CO CO CO CO1

O11

oo1

oo1

oo1

00 001

001

00i

001

001

001

00 ooI

oo1 1 i

r-1

00 00 001

001

oo1 1

(N CN (N (Nen m in in in in CO CO CO CO CO •-H On On On ON ON NO NO NO NO NOin m NO NO NO NO NO in in in in in 1-H 1-H ^H in in in in m NO1-H 1—1 o o o o o hH in in m in m r- r~ m

• a\ On On r- ON ON ON ON On m in in m m r- r~- r~- r- NO NO NO NO NO r-•

m NO 00 On o cs CO in NO 00 ON o CO »n NO r- OO ON

h (N cs (N (N <N CO CO CO CO CO CO CO CO CO COen m en CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO

Ta

76

Phase

1

Ref.#

CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO ro ro CO CO 'it CO CO CO CO

Value 5.90E-06 2.50E-04 6.20E-03

l.OOE-01

2.40E-08 1.70E-06 6.40E-05 1.50E-03 2.40E-02 3.10E-08 2.20E-06 8.70E-05 2.10E-03 3.40E-02 2.60E-08 1.90E-06 7.30E-05 1.70E-03 2.80E-02 4.70E-09 4.30E-07 2.00E-05 5.80E-04 1.20E-02 2.24E-06 7.70E-09 7.20E-07 3.60E-05

l.OOE-03

TempUe

o oo *n«s «n

tsoW-i

8 m<s in o

inin oo in in

csoin

inc-~

oo mCOT—

1

inCOom m oo in

CO mCO

inCOoin

inr~

oo

'9

se r^

rans,

contii

Method

LI

1

dibenzofu Molecular

Wt.

(amu)

374.73 374.73 374.73374.73

[

374.73374.73

:

374.73

1

374.73

i

374.73374.73

i374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 409.15 409.15 409.15 409.15

409.15

!

409.15 409.15 409.15 409.15 409.15

).

Vapor

pressure

data,

Pa,

polychlorinated

Common

Name

1

,2,4,6,7

,9-Hexachlorodibenzofuran 1,2,4,6,7,9-Hexachlorodibenzofuran

1

,2,4,6,7,9-Hexachlorodibenzofuran

1

,2,4,6,7,9-Hexachlorodibenzofuran 1,2,4,6,8,9-Hexachlorodibenzofuran 1,2,4,6,8,9-Hexachlorodibenzofuran

1,2,4,6,8,9-Hexachlorodibenzofliran

1,2,4,6,8,9-Hexachlorodibenzofuran 1,2,4,6,8,9-Hexachlorodibenzofuran 1,3,4,6,7,8-Hexachlorodibenzofuran

1,3

,4,6,7

,

8-Hexachlorodibenzofuran 1,3,4,6,7,8-Hexachlorodibenzofuran 1,3,4,6,7,8-Hexachlorodibenzofuran 1,3,4,6,7,8-Hexachlorodibenzofuran 2,3,4,6,7,8-Hexachlorodibenzofuran 2,3,4,6,7,8-Hexachlorodibenzofuran 2,3,4,6,7,8-Hexachlorodibenzofuran 2,3,4,6,7,8-Hexachlorodibenzofuran 2,3,4,6,7,8-Hexachlorodibenzofuran

1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,8,9-Heptachlorodibenzofuran 1,2,3,4,6,8,9-Heptachlorodibenzofuran 1,2,3,4,6,8,9-Heptachlorodibenzofuran 1,2,3,4,6,8,9-Heptachlorodibenzofuran

CAS# 75627-02-0 75627-02-0 75627-02-0 75627-02-0 69698-59-5 69698-59-5 69698-59-5 69698-59-5 69698-59-5 71998-75-9 71998-75-9 71998-75-9 71998-75-9 71998-75-9 60851-34-5 60851-34-5 60851-34-5 60851-34-5 60851-34-5 67462-39-4 67462-39-4 67462-39-4 67462-39-4 67462-39-4 67462-39-4 69698-58-4 69698-58-4

169698-58-4

69698-58-4

ble

7.1

Entry*

om roi

csm CO

cn ro

in«nm

voinro

>n00»nCO

ONm ovocn

voCO

CMVOCO

vo voro

mvoCO)

voVOm vo

ro

oovoCO

ONVOro

or-ro ro

CMi>ro

ro

ro ro

inr-ro

vo

CO1

CO 1378

H J

77

Table 8. Physical constant data for agrochemicals

79

JS(JouMl

r

I

s"oVi

Vi

9O

a"

X

>^oo

X1)-C_o

>^oo

uI

CO.

U

XD

oo

J3

X(L)

I

CO.

QQQQQ

I

WQQ

I

X

oo

ON OS

s

80

4»

Ref.#

VO so NO

Value

l.OOE-01

2.75E-01 4.00E-02 4.00E-02

l.lOE-01

4.70E-02 6.50E-05

4.00E-I-00

TempUe

ocs CM

o<so o

I.D.

Method

OS

nicals

Molecular

wt.

(amu)

373.32 389.3 284.8 284.8 284.8 284.8 545.59 335.29

olubility

data,

mg

/L,

agrocher

Common

Name

heptachlor heptachlor

epoxide

hexachlorobenzene

(HCB)

hexachlorobenzene

(HCB)

hexachlorobenzene

(HCB)

hexachlorobenzene

(HCB)

mirex

trifluralin

1.

Aqueous

s

CAS#

76-44-8

1024-57-3

118-74-1 118-74-1 118-74-1 118-74-1

2385-85-5 1582-09-8

Table

8.s

Entry

#oo On o

81

Ref.#

so cs cs»n

so so csI-H

so so cs cs csin

cs

4.13E-03 3.08E-03 5.00E-03 3.08E-03 2.29E-02 3.33E-02

l.llE-02

4.80E-03 6.70E-03 2.49E-03 6.70E-03 2.00E-04

l.OOE-04

6.20E-04 1.60E-03 6.20E-04 8.00E-04

l.OOE-03

2.10E-03 2.70E-03 2.10E-03 1.60E-03 1.30E-03 8.30E-04 4.70E-04 1.13E-02 1.13E-02 2.00E-02

inoUCO

cs

TempUo <N

ocs

ocsocs

incs cs

COcs

>ocs CS

>ncs

>n(SoCSocs

>ncs

«ocs

uocsocsocs cs CM

>ocs

incs

<ocs

incsocsocsmcsocs

II.D.

Method

oo 00 00 00_ 00 oo 00 00 r- 00 00 oo r- 00 00 00

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).

Vapor

pressure

data,

Pa,

agrochemicals

Common

Name

alachlor

aldrin aldrin aldrin aldrin aldrin

cis

-chlordane

cis

-chlordane

trans

-chlordane

chloropyrifos chloropyrifos

QQQQQQ

ci.

QQQQQQa,

ci

QQQuQQWQQ

p,p'

-DDE

WQQ

ci

p,p'

-DDE

HQQHQQHQQ

1

ci

QQ

1

diazinon diazinon diazinon dieldrin

CAS# 15972-60-8

309-00-2 309-00-2 309-00-2 309-00-2 309-00-2

5103-74-2 5103-74-2 5103-71-9 2921-88-2 2921-88-2

53-19-0 72-54-8 72-54-8 72-54-8 72-54-8

13424-82-6

72-55-9 72-55-9 72-55-9 72-55-9

789-02-6 789-02-6

50-29-3 50-29-3

333-41-5 333-41-5 333-41-5

60-57-1

Table

8.1

Entry*

cscs

COcs

Ti-cs

•ncs

socs-"^

(S00cs

OSCSoCO

l-H

COcsCO

COCO CO

woCO

soCO CO

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c^COo5

T—t

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5 500

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82

aS

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Cm

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s"a>

e

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in

w

00

ON

d00

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doo

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6

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00

inin in

in in in

Oc(U

3c«O

§I

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in

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<—

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m

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00

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a,uJ3

00

o

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3

in

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00

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00 00

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00

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en

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6

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00

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Woo

o

00

00

dOnCS

u

X>uoi-i

_o

3XuJ3

XuXi

>ôo

oW>n

O

00

00

dON

U

x:

X(U

I

CO.

in00

I

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in00

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ON

m

'it

NO

OW

CO

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00

00

dON

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oo

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1

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Phase

Ref. >n in

2.80E- 1.60E- 3.70E- 1.47E-

aS

HUe

»n<N

in(N

in(N

infS

q

thodr- r- r-

Mel

;ular

Wt(amu)

in >n OnfS

Molet

in

mCO CO >n

COCO

lical

ressure

data,

Pa,

agrochen

Common

Name

mirex

cis

-nonachlor

trans

-nonachlor

trifluralin

r

pi

* »n>n

1 00

b.

Vapo CAS2385-85- 5103-73- 39765-8<

1582-09

Table

8.1

Entry

#1480 1481 1482 1483

Phase

drain,

22-24

C

cyclone,

22-24

C

distilled

water

seawater

drain,

22-24

C

cyclone,

22-24

C

distilled

water

seawater

sub.

Arctic

water''*

"A-4)

u

<

t-i

aj

ta

?

1

3 sinl

Arctic

water'*'*

o

1sub.

Arctic

water''* Bta

i<

UUta

o

sml

Arctic

water'*'*>o

U

u<

sub.

Arctic

water''* Bta

(J

<

'^\^

Bta

tj

tj

<

3to

sml

Arctic

water'*'*

>£)

ootJ

<

Ref.

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oin

00'St

oo 00 oinOm

a o1

COO1 1

COo1

12E-h01

03E+01

86E-I-01 19E-t-02

42E+00

91E-t-00

37E+00

oJ.oA.o o o o o o o o o o o o o o o

Vak.37E .23E .85E .20E 35E- 66E- .30E- .76E- .28E- .85E- .18E- .14E- .56E- .24E- ,68E- ,68E- .69E- .98E- ,82E- .50E- 16E-

00 OS On in 00 X] 00 V 1CO CO CO CO (S 00 r- r- NO

TempUo

CO CO COts

•ncs

O in<s

CO<s

COfS

CO(S

COCM

CO CO04

COCN

COod

COod od

COod

COodO o o O

(SIoCM

43.5 43.5 43.5 43.5 43.5

q

icals

Method

oo 00 (S oo 00 <N <N

—

1

•ochemi

:ulai

imu

CSOn OS

oo oo 00 oo 00r-

OO 00r-;

ON>n

Onin

Onin

Onin

Onm OSm OSin

Onin

Onin

ONm ONin

Onm Onin

Onin

ONmMolec

OnOcs

Os OSNO(N

OnNOcs

NOCO

NOCO

OnO OnO ONo OnO ONo OSo OnO d>nCO

dinCO

dinCO

d»nCO

dinCO

dinCO

dmCO

dinCO

dinCO

dinCO

dinCO

dinCO

dinCO

dinCO

dinCO

nol,

a;

Pai Nan

3 non

(U 4)

iw

constant

d Eo

alachlor alachlor alachlor alachlor

aldrin aldrin

cis

-chlordane

cis

-chlordane

trans

-chlordar

trans

-chlordar

trans

-chlordar

trans

-chlordar

trans

-chlordar

chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos

:.

Henry's

la

CAS# 15972-60-8 15972-60-8 15972-60-8 15972-60-8

309-00-2 309-00-2

5103-74-2 5103-74-2 5103-71-9 5103-71-9 5103-71-9 5103-71-9 5103-71-9 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2

ble

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NO00

r-00

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5. REFERENCES

5.1 Cited references

(1) May, W. E.; Wasik, S. P.; Freeman, D. H. Anal. Chem. 1978, 50, 175.

(2) Mackay, D.; Shiu, W. Y. J. Chem. Eng. Data 1977, 22, 399.

(3) Barone, G.; Crescenzi, V.; Liquori, A. M.; Quadrifoglio, F. J. Phys. Chem. 1967, 71,

2341.

(4) Bohon, R. L.; Claussen, W. F. /. Am. Chem. Soc. 1951, 73, 1571.

(5) Klevens, H. B. 7. Phys. Chem. 1950, 54, 283.

(6) Wauchope; Getzen, F. W. J. Chem. Eng. Data 1972, 17, 38.

(7) Davis, W. W.; Krahl, M. E.; Clowes, G. H. A. J. Am. Chem. Soc. 1942, 64, 108.

(8) Banerjee, S.; Yalkowsky, S. H.; Valvani, S. C. Environ. Sci. Technol. 1980, 14, 1227.

(9) Haque, R.; Schmedding, D. Bull. Environ. Contam. Toxicol. 1975, 14, 13.

(10) Dunnivant, F. M.; Eizerman, A. W.; Jurs, P. C; Hasan, M. N. Environ. Sci. Tehcnol.

1992,2(5,1567.

(11) Dickhut, R. M.; Andren, A. W.; Armstrong, D. E. Environ. Sci. Technol. 1986, 20, 807.

(12) Friesen, K. J.; Vilk, J.; Muir, D. C. G. Chemos. 1990, 20, 27.

(13) Rordorf, B. F. Chemos. 1989, 18, 783.

(14) Bidleman, T. F. Anal. Chem. 1984, 56, 2490.

(15) Burkhard, L. P.; Armstrong, D. E.; Andren, A. W. J. Chem. Eng. Data 1984, 29, 248.

(16) Mackay, D.; Shiu, W. Y.; Sutherland, R. P. Environ. Sci. Technol. 1979, 13, 333.

(17) Sonnefeld, W. J.; Zoller, W. H., May, W. E Anal. Chem. 1983, 55, 275.

(18) Westcott, J. W.; Simon, C. G.; Bidleman, T. F. Environ. Sci. Technol. 1981, 15, 1375

(19) Friesen, K. J.; Sama, L. P.; Webster, G. R. B. Chemos. 1985, 14, 1267.

(20) Dunnivant, G. M.; Eizerman, A. W. Chemos. 1988, 17, 525.

(21) Miller, M. M.; Ghodbane, S.; Wasik, S. P.; Tewari, Y. B.; Martire, D. E. J. Chem. Eng.

Data 19S4, 29, IS4.

(22) Doucette, W. J.; Andren, A. W. Chemos. 1988, 17, 243.

90

(23) Shiu, W. Y.; Doucette, W.; Gobas, F. A. P. C; Mackay, D.; Andren, A. W. Environ. Sci.

Technol. 1988, 22, 651.

(24) Eitzer, B. D.; Kites, R. D. Environ. Sci. and Technol. 1988, 22, 1362.

(25) Nirmalakhandan, N. N.; Speece, R. E. Environ. Sci. Technol. 1989, 23, 708.

(26) Mackay, D.; Mascarenhas, R.; Shiu, W. Y.; Valvani, S. C; Yalkowsky, S. H. Chemos.

1980, 9, 257.

(27) Dunnivant, F. M.; Coates, J. T.; Elzerman, A. W. Environ. Sci. Tech. 1988, 22, 448.

(28) Eganhouse, R. P.; Calder, J. A. Geochim. Cosmochim. Acta. 1976, 40, 555.

(29) Yamasaki, H.; Kuwata, K.; Kuge, Y. Chem. Soc. Jap. 1984, 8, 1324.

(30) Hansen, K. C; Zhou, Z.; Yaws, C. L., Aminabhav, T. M. /. Chem. Eng. Data 1993, 38,

546.

(31) Robbins, G. A.; Wang, S.; Stuart, J. D. Anal. Chem. 1993, 65, 31 13.

(32) Dewulf, J.; Drijvers, D.; van Langerhove, H. Atmos. Environ. 1995, 29, 323.

(33) Fendinger, N.J.; Glotfelty, D.E. Environ. Toxicol. Chem. 1990, 9, 731.

(34) Santl, H.; Brandsch, R.; Lugwig, G. Chemos. 1994, 29, 2209.

(35) Brunner, S.; Homung, E.; Santl, H.; Wolff, E.; Piringer, O.G. Environ. Sci. Technol.

1990,24, 1751.

(36) ten Hulscher, T.E.M.; van der Velde, L.E.; Bruggeman, W.A. Environ. Toxicol. Chem.

1992,77,1595.

(37) Ashworth, R.A.; Howe, G.B.; Mullins, M.E.; Rodger, T.N. J. Haz. Mat. 1988, 18, 25.

(38) Chiou, C.T.; Freed, V.H.; Schmedding, D.W.; Kohnert, R.L. Environ. Sci. Technol. 1977,

77, 475.

(39) Murphy, T.J.; Mullin, M.D.; Meyer, J.A. Environ. Sci. Technol. 1987, 27, 155.

(40) Tse, G.; Orbey, H.; Sandler, S.I. Environ. Sci. Technol. 1992, 26, 2017.

(41) Alaee, M.; Whittal, R.M.; Strachan, M.J. Chemos. 1996, 32, 1 153.

(42) Montgomery, J. Agrochemicals Desk Reference Environmental Data; Lewis Publishers:

Chelsea, MI, 1993.

(43) Yin, C.; Hassett, J.P. Environ. Sci. Technol. 1986, 20, 1213.

(44) Kucklick, J. R.; Hinckley, D.A.; Bidleman, T.F. Mar. Chem. 1991, 34, 197.

91

(45) Verschuren, K. Handbook ofEnvironmental Data on Organic Chemicals; VanNostrand

Reinhold Co.: New York, NY, 1983.

(46) Suntio, L.R.; Shiu, W.Y.; Mackay, D.; Seiber, J.N.; Glotfelty, D. Rev. Environ. Contam.

Toxicol. 1988, 103, 1.

(47) Rice, CP.; Chemyak, S.M.; McConnell, L.L. J. Agri. Food Chem. 1997, 45, 2291

.

(48) Fendinger, N.J.; Glotfelty, D.E.; Freeman, H. Environ. Sci. Technol. 1989, 23, 1528.

(49) Fendinger, N.J.; Glotfelty, D.E. Environ. Sci. Technol. 1988, 22, 1289.

(50) Atlas, E.; Foster, R.; Giam, C.S. Environ. Sci. Technol. 1982, 16, 283.

(51) Hinckley, D.A.; Bidleman, T.F.; Foreman, W.T.; Tuschall, J.R. J. Chem. Eng. Data 1990,

35, 232.

5.2 Reviewed references (not cited in data tables)

(52) Achman, D. A.; Hombuckle, K. C.; Eisenreich, S. J. Environ. Sci. Technol. 1993, 27, 75.

(53) Andrews, L. J.; Keefer, R. M. J. Am. Chem. Soc. 1950, 71, 3644.

(54) Atlas, E.; Foster, R.; Giam, C. S. Environ. Sci. Technol. 1982, 16, 283.

(55) Banerjee, S. Environ. Sci. Technol. 1985, 19, 369.

(56) Banerjee, S.; Howard, P. H. Environ. Sci. Technol. 1988, 22, 839.

(57) Bidleman, T. F.; McConnell, L. L. Sci. Tot. Environ. 1995, 759, 101.

(58) Boyland, E.; Green, B. Br. J. Cancer 1962, 16, 347.

(59) Burkhard, L. P. Ph.D. Thesis, University of Wisconsin-Madison, 1984.

(60) Burkhard, L. P.; Armstrong, D. E.; Andren, A. W. Environ. Sci. Technol. 1985, 19, 590.

(61) Burkhard, L. P.; Andren, A. W.; Armstring, D. E. Environ. Sci. Technol. 1985, 79, 500.

(62) Carroll, J. J. Chem. Eng. Prog. 1991, 87, 48.

(63) Coe, D. A. J. Chem. Info. Comp. Sci. 1995, 35, 168.

(64) Deno, N. C; Berkeimer, H. E. J. Chem. Eng. Data 1960, 5,1.

(65) Dextere, R. N.; Pavlou, S. P. Mar. Chem. 1978, 6, 41

.

(66) Dickhut, R. M.; Andren, A. W.; Armstrong, D. E. Environ. Sci. Technol. 1987, 27, 926.

(67) Dickhut, R. M.; Gustafson, K. E. Environ. Sci. Technol. 1995, 29, 1518.

(68) Doskey, P. V.; Andren, A. W. Environ. Sci. Technol. 1981, 75, 705.

(69) Falconer, R. L.; Bidleman, T. L. Atmos. Environ. 1994, 28, 547.

92

(70) Fendinger, N. J.; Glotfelty, D. E.; Freeman, H. P. Environ. Sci. Technol 1989, 23, 1528.

(71) Forman, W. T.; Bidleman, T. F. /. Chrom. 1985, 330, 203.

(72) Ghonasgi, D.; Llano-Restrepo, M. /. Chem. Phys. 1993, 98, 5662.

(73) Gossett, J. M. Environ. Sci. Technol. 1987, 21, 202.

(74) Govers, H. A. J.; Luijk, R.; Evers, E. H. G. Chemos. 1990, 20, 287.

(75) Hassett, J.P.; Milicic, E. Environ. Sci. Technol. 1985, 19. 638.

(76) Hawker, D. W. Environ. Sci. Technol. 1989a, 23, 1250.

(77) Hine, J.; Mookeijee, P. K. J. Org. Chem. 1975, 40, 292.

(78) Hoff, J. T.; Mackaay, D.; Gillham, R.; Shiu, W. Y. Environ. Sci. Technol. 1993, 27, 2174.

(79) Hombuckle, K. C; Jeremiason, J. D.; Sweet, C. W.; Eisenreich, S. J. Environ. Sci.

Technol. 1994, 28, 1491.

(80) Isnard, P.; Lambert, S. Chemos. 1989, 18, 1837.

(81) Iwata, H.; Tanabe, S.; Sakal, N.; Tatsukawa, R. Environ. Sci. Technol. 1993, 27, 1080.

(82) Japas, M. L.; Levelt, S. J. M. H. AIChE J 1989, 35, 705.

(83) Jeremianson, J. D.; Hombuckle, K. C; Eisenreich, S. J. Environ. Sci. Technol. 1994, 28,

903.

(84) Kenaga, E. E.; Goring, C. A. I. In American Societyfor Testing and Materials, Third

Aquatic Toxicology Symposium; Dow Chemical, Midland, Michigan: New Orleans, LA,

1978.

(85) Kollig, H. P.; Kitchens, B. E. Toxicol. Environ. Chem. 1990, 28, 95.

(86) Lange Lange's Handbook of Chemistry; 13 ed.; McGraw-Hill, Inc.: New York, 1985.

(87) Lee, M. C.; Chian, E. S. K.; Griffin, R. A. Water Res. 1979, 13, 1249.

(88) Leo, A.; Hansch, C.; Elkins, D. Chem. Rev. 1971, 71, 525.

(89) Li, A.; J., D. W.; Andren, A. W. Chemos. 1994, 29, 657.

(90) Lincoff, A.H.; Gossett, J.M. In Gas Transfer at Water Surfaces; Brusasert, W., Jirka,

G.H., Eds.; D. Reidel Publishing Co.: Dordrecht, Holland, 1984, p 17.

(91) Louch, D.; Motlaghs, S.; Pawliszyn, J. Anal. Chem. 1992, 64, 1 187.

(92) Lu, P. Y.; Metcalf, R. L.; Carlson, E. M. Environ. Health Persp. 1978, 24, 201

.

(93) Mackay, D.; Wolkoff, A. W. Environ. Sci. Technol. 1973, 7, 61 1

.

93

(94) Mackay, D.; Leinonen, P. J. Environ. Sci. Technol. 1975, 9, 1 178.

(95) Mackay, D.; Shiu, W. Y. J. Chem. Eng. Data 1977, 22, 399.

(96) Mackay, D.; Shiu, W. Y. J. Phys. Chem. Ref. Data 1981, 10, 1 175.

(97) Mackay, D.; Shiu, W. Y. J. Phys. Chem. Ref. Data 1981, 10, 1 175.

(98) Mackay, D.; Paterson, S.; Schroeder, W. H. Environ. Sci. Technol. 1986, 20, 810.

(99) Mackay, D.; Shiu, W. Y.; Ma, K. C. Illustrated Handbook ofPhysical-Chemical

Properties and Enviommental Fatefor Organic Chemicals; Lewis Publishers, Inc.:

Chelsea, Michigan, 1992; Vol. 1.

(100) Mackay, D.; Shiu, W. Y.; Ma, K. C. Illistrated Handbook ofPhysica-Chemical

Properties and Environmental Fatefor Organic Chemicals', Lewis Publishers, Inc.:

Chelsea, Michigan, 1992; Vol. 2.

(101) May, W.E.; Wasik, S.P., Freeman, D.H. Anal. Chem. 1978, 50, 997.

(102) McConnell, L. L.; Cotham, W. E.; Bidleman, T. F. Environ. Sci. Technol. 1993, 27, 1304.

(103) Meylan, W. M.; Howard, P. H. Environ. Toxicol, and Chem. 1991, 10, 1283.

(104) Murphy, T. J.; Pokojowczyk, J. C; Mullin, M. D. In Physical Behavior ofPCB's in the

Great Lakes; D. Mackay, Ed.; Ann Arbor Science: Ann Arbor, MI, 1983; p 49.

(105) Murray, J. M.; Pottie, R. F.; Pupp, C. Can. J. Chem. 1974, 52, 557.

(106) Nielsen, F.; Olsen, E.; Fredenslund, A. Environ. Sci. Technol. 1994, 28, 2133.

(107) Nirmalakhandan, N. N.; Speece, R. E. Environ. Sci. Technol. 1988, 22, 1349.

(108) Oliver, B. G. Chemos. 1985, 14, 1087.

(109) Opperhuizen, A.; Benecke, J. L; Parsons, J. R. Environ. Sci. Technol. 1987, 21, 925.

(110) Opperhuizen, A.; Gobas, F. A. P. C; Van der Steen, J. M. D.; Hutzinger, O. Environ. Sci.

Technol. 1988, 22, 638.

(111) Pearlman, R. S.; Yalkowsky, S. H.; Banerjee, S. J. Phys. Chem. Ref Data 1984, 13, 555.

(112) Perona, M. J. Atmos. Environ. 1992, 26A, 2546.

(113) Renberg, L.; Sunstrom, G.; Sundh-Nygard, K. Chemos. 1980, 9, 683.

(1 14) Roberts, P. V. Environ. Sci. Technol. 1984, 18, 894.

(115) Rordorf, B. F. Chemos. 1985, 14, 885.

(116) Rordorf, B. F.; Sama, L. P.; Webster, G. R. B. Chemos. 1986, 75, 2073.

94

117) Rordorf, B. F. Thermochimica Acta 1987, 112, 1 17.

:i 18) Rordorf, B. F.; Sama, L. P.; Webster, G. R. B.; Safe, L. M.; Lenoir, D.; Schwind, K. H.

Hutzinger, O. Chemos. 1990, 20, 1603.

:i 19) Rossi, S. S.; Thomas, W. H. Environ. Sci. Technol. 1981, 75, 715.

:i20) Ruepert, C; Grinwis, A.; Govers, H. Chemos. 1985, 14, 279.

121) Russell, C. J.; Dixon, S. L.; Jurs, P. C. Anal. Chem. 1992, 64, 1350.

122) Sabljic, A.; Gusten, H. Chemos. 1989, 79, 1503.

123) Sagebiel, J. C; Seiber, J. N.; Woodrow, J. E. Chemos. 1992, 25, 1763.

;i24) Schwarzenbach, R. P.; Gschwend, P. M.; Imboden, D. M. Environmental Organic

Chemistry, Wiley Interscience: New York, 1993.

125) Schwarz, F. P. Anal. Chem. 1980, 52, 10.

:i26) Shiu, W. Y.; Mackay, D. J. Phys. Chem. Data 1986, 75, 91 1.

;127) Shiu, W. Y.; Ma, K. C; Mackay, D.; Seiber, J. N.; Wauchope, R. D. Rev. Environ.

Contamin. Toxicol. 1990, 776, 1.

128) Staudinger, J.; Roberts, P.V. Critical Reviews in Environ. Sci. Technol. 1996, 26, 205.

129) Tancrede, M. V.; Yanagisawa, Y. J. AWMA 1990, 40, 1658.

130) Tataya, S.; Tanabe, S.; Tatsukawa, R. In Toxic Contamination in Large Lakes, Vol 111;

Schmidtke N.W., Ed.; Lewis Publishers: Chelsea, MI, 1988; p 237.

131) Valsaraj, K. T. Chemos. 1988, 77, 875.

;i32) Wise, S. A.; Bonnett, W. J.; Guenther, F. R.; May, W. E. J. Chromatogr. Sci. 1981, 79,

457.

133) Yalkowsky, S. H.; Valvani, J. J. Chem. Eng. Data 1979, 24, 4300.

134) Yalkowsky, S. H.; Mishra, D. S. Environ. Sci. Technol. 1990, 24, 927.

135) Yans, C.-Y.; Haur-Chung-Pan, X. Chem. Eng. 1991, 98, 179.

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