Henry's Law Constants

Compilation of Henrys Law Constants for Inorganic and Organic Species of Potential Importance in Environmental Chemistry
http://www.mpch-mainz.mpg.de/~sander/res/henry.html
Rolf Sander Air Chemistry Department Max-Planck Institute of Chemistry PO Box 3060 55020 Mainz Germany e-mail: sander@mpch-mainz.mpg.de Version 3 (April 8, 1999)
c Rolf Sander (non-commercial reproduction permitted)
Contents
1 Introduction 2 The physical quantity of solubility 3 Temperature dependence 4 Unit conversions 5 How to use the Tables 6 Further Sources of Information 7 Data Table (Inorganic) oxygen (O) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . hydrogen (H) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . nitrogen (N) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . uorine (F) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . chlorine (Cl) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . bromine (Br) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . iodine (I) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . sulfur (S) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . rare gases . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . other elements . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 3 3 3 4 4 6 6 6 7 8 9 10 11 12 13 13
R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)
8 Data Table (Organic) alkanes (C and H only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . cycloalkanes (C and H only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . aliphatic alkenes and cycloalkenes (C and H only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . aliphatic alkynes (C and H only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . mononuclear aromatics (C and H only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . terpenes and polynuclear aromatics (C and H only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . alcohols (ROH) (C, H, and O only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . polyols (R(OH)n ) (C, H, and O only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
14 14 27 28 30 31 35 37 41 43 44 46 48 50 54 55 58 59 59 61 65 66 68 71 82 84 86 89 90 92 96 99 99
peroxides (ROOH) and peroxy radicals (ROO) (C, H, and O only) . . . . . . . . . . . . . . . . . . . . . . . . . . aldehydes (RCHO) (C, H, and O only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ketones (RCOR) (C, H, and O only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . carboxylic acids (RCOOH) and peroxy carboxylic acids (RCOOOH) (C, H, and O only) . . . . . . . . . . . . . . esters (RCOOR) (C, H, and O only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ethers (ROR) (C, H, and O only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . miscellaneous, e.g. multiple functional groups (C, H, and O only) . . . . . . . . . . . . . . . . . . . . . . . . . . . compounds with nitrogen: amines (RNH2 ) (C, H, O, and N only) . . . . . . . . . . . . . . . . . . . . . . . . . . . compounds with nitrogen: amino acids (RCHNH2 COOH) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . compounds with nitrogen: heterocycles (C, H, O, and N only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . compounds with nitrogen: nitrates (RONO2 ) (C, H, O, and N only) . . . . . . . . . . . . . . . . . . . . . . . . . compounds with nitrogen: nitriles (RCN) (C, H, O, and N only) . . . . . . . . . . . . . . . . . . . . . . . . . . . compounds with nitrogen: nitro (RNO2 ) (C, H, O, and N only) . . . . . . . . . . . . . . . . . . . . . . . . . . . . compounds with uorine . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . aliphatic compounds with chlorine . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . aromatic compounds with chlorine . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . compounds with chlorine and uorine . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . compounds with bromine . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . compounds with iodine . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
compounds with sulfur . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . polychlorobiphenyls (PCBs), pesticides, etc. 9 Notes 10 Acknowledgements References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
Introduction
Henrys law constants (solubilities) of trace gases of potential importance in environmental chemistry (atmospheric chemistry, waste water treatment, . . . ) have been collected and converted into a uniform format. Disclaimer: Although this compilation has been edited with greatest care the possibility of errors cannot be excluded. If you use data from this table it is recommended that you also check the original literature. If you nd an error in this table, please tell me about it!
The physical quantity of solubility
There are several ways of describing the solubility of a gas in water. Usually the Henrys law constant kH is dened as: kH = ca /pg
def
(1)
Here, ca is the concentration of a species in the aqueous phase and pg is the partial pressure of that species in the gas phase. If kH refers to standard conditions (T = 298.15 K) it will be denoted as kH . Henrys law constant can also be expressed as the dimensionless ratio between the aqueous-phase concentration ca of a species and its gas-phase concentration cg :
cc kH = ca /cg = kH RT def
(2)
where R = gas constant and T = temperature. To distinguish these dierent physical quantities, this constant has been cc named kH here.
px Sometimes the reciprocal value kH,inv is used, representing the volatility instead of the solubility. The usual denition is: px kH,inv = pg /xa = def H2 O
MH2 O kH
(3)
where xa = molar mixing ratio in the aqueous phase,
H2 O
= density of water, and MH2 O = molar mass of water.
Temperature dependence
A simple way to describe Henrys law as a function of temperature is: kH = kH exp soln H R 1 1 T T (4)
where soln H = enthalpy of solution. Here, the temperature dependence is: d ln kH soln H = d(1/T ) R (5)
Unit conversions
Detailed information about the conversion between dierent units and denitions of Henrys law constants is given by Sander [1999]. Here is a short summary: The commonly used unit for kH is [M/atm] = [ molaq /dm3 molaq /m3 aq aq ]. The ocial SI unit is [ ]. The conversion is: atm Pa (6)
kH kH = 101.325 [M/atm] [(molaq /m3 )/Pa] aq

cc The relation between kH and kH is:
T kH cc = 12.2 kH [K] [M/atm]
(7)
At T = 298.15 K this leads to:
kH cc = 0.0409 kH [M/atm]
(8)
px px The commonly used unit for kH,inv is [atm]. The product of kH and kH,inv is constant: px kH,inv kH = 55.3 [M/atm] [atm]
(9)
How to use the Tables
Inorganic substances are sorted according to the elements they contain. The order chosen is: O, H, N, F, Cl, Br, I, S, rare gases, others. Organic substances (i.e. everything with carbon, including CO and CO2 ) are sorted somewhat arbitrarily by increasing chain length and complexity. Hetero atoms (N, F, Cl, Br, I, and S) are sorted in the same way as for inorganic compounds. The column labeled substance gives the systematic name, the chemical formula, trivial names (if any), and in several cases the CAS registry number (in square brackets). The column labeled kH contains the Henrys law constants as dened in equation (1), rounded to two signicant digits and given in the unit [M/atm]. The column labeled d ln kH /d(1/T ) contains the temperature dependence of the Henrys law constants as dened in equations (4) and (5), rounded to two signicant digits and given in the unit [K]. For each table entry the column labeled type denotes how the Henrys law constant was obtained in the given reference. Literature reviews are usually most reliable, followed by original publications of experimental determinations of kH . Other data has to be treated more carefully. The types listed here are roughly ordered by decreasing reliability: L M V R The cited paper is a literature review. Original publication of a measured value (e.g. head-space or bubble column technique as explained by Betterton [1992]). Vapor pressure of the pure substance is used to determine the Henrys law constant (c/p for a saturated solution). The cited paper presents a recalculation of previously published material (e.g. extrapolation to a dierent temperature or concentration range). Thermodynamical calculation (soln G = RT ln kH , see Sander [1999] for details). The paper that is cited here refers to another reference which I could not obtain (e.g. personal communication, Ph.D. theses, internal papers etc.). I havent seen the paper that I cite here. I found it referenced by another paper or I know about it through others. The cited paper doesnt clearly state how the value was obtained. The value is estimated. Estimates are only listed if no reliable measurements are available for that compound.
T C
X ? E
In some cases there might be good agreement between dierent authors. However, if the original work they refer to is not known one has to be careful when evaluating the reliability. It is possible that they were recalculating data from the same source. The similarity in that case would not be due to independent investigations.
Further Sources of Information
Further important references: monoaromatic hydrocarbons, chlorobenzenes, and PCBs: Mackay et al. [1992a]
polynuclear aromatic hydrocarbons, polychlorinated dioxins, and dibenzofuranes: Mackay et al. [1992b] volatile organic chemicals: Mackay et al. [1993] oxygen, nitrogen, and sulfur containing compounds: Mackay et al. [1995] pestizides, PCBs, etc.: Westcott et al. [1981]; Burkhard et al. [1985]; Hassett and Milicic [1985]; Yin and Hassett [1986]; Murphy et al. [1987]; Shiu et al. [1988]; Rice et al. [1997]; Fendinger and Glotfelty [1988]; Fendinger et al. [1989]; De Maagd et al. [1998]; Duce et al. [1991] additional references that are not (yet) included: Lide and Frederikse [1995]; Shiu et al. [1994]; Watts and Brimblecombe [1987]; Wright et al. [1992a]; Tse et al. [1992]; Kolb et al. [1992]; Ettre et al. [1993]; Gan and Yates [1996]; Peng and Wan [1997]; Roberts and Dndliker [1983]; Economou et al. [1997]; Wong and Wang [1997]; Suleimenov a and Krupp [1994]; Heron et al. [1998]; Becker et al. [1998]; Leuenberger et al. [1985] predictive methods for Henrys law coecients (QSPRs): Russell et al. [1992]; Nirmalakhandan et al. [1997]; Brennan et al. [1998] On the Internet: The NIST Chemistry WebBook at http://webbook.nist.gov/chemistry The Pesticide Properties Database (PPD) at http://www.arsusda.gov/rsml/ppdb2.html
Data Table (Inorganic)

kH [M/atm] 1.310 1.2103 1.3103 1.3103 1.3103 1.2103 1.2102 1.3102 1.3102 1.2102 1.1102 1.2102 9.4103 1.1102 9.4103 8.9103 7.8104 7.8104 7.8104 7.8104 2.9101 3.2101 2.5101 2.5101 2.0102 9.0103 3.0101 4.6103 9.0103 1.2103 9.0103 4.0103 5.7103 7.1104 7.1104 1.4105 9.7104 6.9104 1.0105 8.3104 1.1105 8.6104
3 d ln kH d(1/T )
substance
[K]
reference
type
note
oxygen (O)
oxygen O2 [7782-44-7] 1700 1800 1500 1700 1500 1700 2300 2000 2000 2300 2700 2500 2400 2400 2900 Loomis Carpenter Wilhelm et al. Dean Lide and Frederikse Kavanaugh and Trussell Loomis Briner and Perrottet Wilhelm et al. Durham et al. Kosak-Channing and Helz Chameides Homann and Jacob Jacob Seinfeld Kavanaugh and Trussell Hine and Weimar Wilhelm et al. Dean Lide and Frederikse Berdnikov and Bazhin Mozurkewich Jacob Lelieveld and Crutzen Lelieveld and Crutzen Lelieveld and Crutzen Hanson et al. Berdnikov and Bazhin Chameides Schwartz Jacob Weinstein-Lloyd and Schwartz Hanson et al. Rgimbal and Mozurkewich e Martin and Damschen Homann and Jacob Yoshizumi et al. Chameides Hwang and Dasgupta Lind and Kok OSullivan et al. Staelbach and Kok Zhou and Lee [1928] [1966] [1977] [1992] [1995] [1980] [1928] [1939] [1977] [1981] [1983] [1984] [1984] [1986] [1986] [1980] [1965] [1977] [1992] [1995] [1970] [1986] [1986] [1991] [1991] [1991] [1992] [1970] [1984] [1984] [1986] [1991] [1992] [1997] [1981] [1984] [1984] [1984] [1985] [1994] [1996] [1993] [1992] X M L ? L X X M L C M T ? C C X R L ? L T T C C C C T T T T E T T R T ? M T M M M M M 1
2 3 1
ozone O3 [10028-15-6]
hydrogen (H)
hydrogen H2 [1333-74-0] hydroxyl radical OH [3352-57-6] 490 640 500 3100 5300
2 5 6
hydroperoxy radical HO2 [3170-83-0]
4500 4800
5 7
6600 5900 7000 7300 6600 7900 6300 7400 7500 6500
hydrogen peroxide H2 O2 [7722-84-1]
4 8
9 10

d ln kH d(1/T )
substance
kH [M/atm] 5.9101 5.7101 1.0101 6.1101 7.6101 5.8101 7.8101 5.8101 5.6101 5.6101 6.1101 2.7101 6.2101 5.4101 6.0101 9.9
[K] 4100 4100 1500 4200 3400 4100 4100 4100 4200 4200 2100
reference
type
note
nitrogen (N)
ammonia NH3 [7664-41-7] Sillen and Martell Robinson and Stokes Wilhelm et al. Edwards et al. Hales and Drewes Chameides Holzwarth et al. Homann and Jacob Dasgupta and Dong Dasgupta and Dong Clegg and Brimblecombe Dean Van Krevelen et al. Bone et al. Kavanaugh and Trussell Wilhelm et al. [1964] [1970] [1977] [1978] [1979] [1984] [1984] [1984] [1986] [1986] [1989] [1992] [1949] [1983] [1980] [1977] X X L L M T M ? M T M ? X ? X L 1 1
hydrazoic acid HN3 [7782-79-8] dinitrogen monoxide N2 O (nitrous oxide, laughing gas) [10024-97-2]
4400 3100
2 11 12 3
nitrogen N2 [7727-37-9] nitrogen monoxide NO (nitric oxide) [10102-43-9]
2.5102 2.6102 2.4102 2.5102 2.4102 2.5102 2.4102 6.5104 6.1104 7.9107 1.4103 1.9103 1.9103 1.9103 1.9103 3.4102 7.0103 4.0102 2.4102 1.2102 4.1102 1.2102 3.4102 1.2101 2.0 6.0101 see note 1.8
2600 2800 2600 2700 1300 1300 3800 1500 1700 1400 1800
Loomis Liss and Slater Wilhelm et al. Seinfeld Dean Lide and Frederikse Perry Wilhelm et al. Kavanaugh and Trussell Wilhelm et al. Zariou and McFarland Schwartz and White Durham et al. Dean Lide and Frederikse Berdnikov and Bazhin Lee and Schwartz Lee and Schwartz Lee and Schwartz Schwartz and White Durham et al. Chameides Berdnikov and Bazhin Chameides Thomas et al. Rudich et al. Seinfeld and Pandis Thomas et al.
[1928] [1974] [1977] [1986] [1992] [1995] [1963] [1977] [1980] [1977] [1980] [1981] [1981] [1992] [1995] [1970] [1981] [1981] [1981] [1981] [1981] [1984] [1970] [1986] [1993] [1996] [1998] [1998]
X ? L ? ? L X L X L M L C ? L T M C C L C T T T M M M M
13 2 14
2 5 15
nitrogen dioxide NO2 [10102-44-0]
nitrogen trioxide NO3 (nitrate radical) [12033-49-7]
2500 2000 1900 2000
16 17

d ln kH d(1/T )
substance dinitrogen trioxide N2 O3 [10544-73-7] dinitrogen tetroxide N2 O4 [10544-72-6] dinitrogen pentoxide N2 O5 (nitric anhydride) [10102-03-1] nitrous acid HNO2 [7782-77-6]
kH [M/atm] 6.0101 2.6101 1.4 1.6 2.1 4.9101 3.7101 4.9101 4.8101 4.9101 5.0101 2.1105 8.9104 2.6106 3.5105 /KA 2.4106 /KA 2.1105 2.0104 1.0105 1.2104 4.0103 2.110
2
[K]
reference Schwartz and White [1981] Durham et al. [1981] Schwartz and White [1981] Durham et al. [1981] Jacob [1986] Fried et al. [1994] Sander and Crutzen [1996] Schwartz and White Durham et al. Chameides Martin Park and Lee Becker et al. Schwartz and White Durham et al. Chameides Homann and Jacob Brimblecombe and Clegg Lelieveld and Crutzen Jacob et al. Mller and Mauersberger o Rgimbal and Mozurkewich e Amels et al. [1981] [1981] [1984] [1984] [1988] [1996] [1981] [1981] [1984] [1984] [1989] [1991] [1989] [1992] [1997] [1996]
type L C L C E E E L C T T M M T C T ? T R C E T M T
note
3400
18 19 18
4800 4800 4700 4900 4900
nitric acid HNO3 [7697-37-2]
pernitric acid HNO4 [26404-66-0]
8700 8700 8700 8700 0 6900
20, 4 20, 21 22 23
uorine (F)
uorine atom F [14762-94-8] hydrogen uoride HF [7664-39-3] nitrogen triuoride NF3 [7783-54-2] dinitrogen tetrauoride N2 F4 (tetrauorohydrazine) [10036-47-2] 400 Berdnikov and Bazhin [1970] 5
9.6/KA
7400
Brimblecombe and Clegg [1989]
20, 21
7.9104
1900
Wilhelm et al. [1977]
8.5104
2500

d ln kH d(1/T )
substance
kH [M/atm] 1.910 1.7105 /KA 1.5103 2.0101 1.1 2.5103 2.0106 /KA 1.9101 2.0106 /KA 7.3102 4.8102 9.3102 6.6102 2.6102 > 0.05
1
[K] 9000
reference
type
note
chlorine (Cl)
hydrogen chloride HCl [7647-01-0] Loomis Loomis Chen et al. Graedel and Goldberg Marsh and McElroy Seinfeld Brimblecombe and Clegg Dean Wagman et al. Holzwarth et al. Hanson and Ravishankara Blatchley et al. Huthwelker et al. Wagman et al. Scheer et al. [1928] [1928] [1979] [1983] [1985] [1986] [1989] [1992] [1982] [1984] [1991] [1992] [1995] [1982] [1997] X X X C T ? T ? T M M M L T M 1 1,20 1
2000 9000 600 9000
13 20, 21 2
hypochlorous acid HOCl [7790-92-3]
24
5900 5100
nitrosyl chloride NOCl [2696-92-6] nitryl chloride ClNO2 [13444-90-1] chlorine nitrate ClNO3 [14545-72-3] molecular chlorine Cl2 [7782-50-5]
2.4102 4.6102
Behnke et al. [1997] Frenzel et al. [1998] Sander and Crutzen [1996]
E E E
25
18
dichlorine monoxide Cl2 O [7791-21-1] chlorine dioxide ClO2 [10049-04-4] chlorine atom Cl [22537-15-1] chloramide NH2 Cl [10599-90-3] dichloroamine NHCl2 (chlorimide) [3400-09-7] nitrogen trichloride NCl3 [10025-85-1]
see note 9.1102 6.2102 9.3102 6.3102 9.5102 8.6102 1.7101 1.7101 1.0 1.0 8.5101 1.5102 2.0101 9.4101
2500 2800 2300 3200 2100 2000 1800 1700 3300 3300 3400 1500
Kruis and May Wilhelm et al. Wagman et al. Dean Brian et al. Lide and Frederikse Kavanaugh and Trussell Wilhelm et al. Lide and Frederikse Wilhelm et al. Lide and Frederikse Kavanaugh and Trussell Berdnikov and Bazhin Mozurkewich
[1962] [1977] [1982] [1992] [1962] [1995] [1980] [1977] [1995] [1977] [1995] [1980] [1970] [1986]
? L T ? L L X L L L L X T T M
26
14 3 5
4800
Holzwarth et al. [1984]
2.9101
4200
1.0101
4100
10

d ln kH d(1/T )
substance
kH [M/atm] 1.310 /KA 7.2101 2.5101 7.2108 /KA >1.9103 1.8 9.3101 see note 6.1103 3.0101
9
[K] 10000 6100 370 10000
reference
type
note
bromine (Br)
hydrogen bromide HBr [10035-10-6] hypobromous acid HOBr [13517-11-8] Brimblecombe and Clegg Chameides and Stelson Dean Wagman et al. Blatchley et al. Mozurkewich Vogt et al. Fickert Frenzel et al. Frenzel et al. [1989] [1992] [1992] [1982] [1992] [1995] [1996] [1998] [1998] [1998] T C ? T M T E M E E 20, 21 27 2
28 29
nitryl bromide BrNO2 [13536-70-4] bromine nitrate BrNO3 [40423-14-1] molecular bromine Br2 [7726-95-6]
Sander and Crutzen [1996]
18
bromine chloride BrCl [13863-41-7]
bromine atom Br [10097-32-2]
7.9101 7.1101 9.7101 8.0101 6.9101 7.3101 7.6101 1.8 4.2 1.1 7.4101 5.2 9.4101 5.9101 3.4102 1.2
3600 4100 3900 4000 4100 3300 3700
5600 1800
Winkler [1899] Kelley and Tartar [1956] Jenkins and King [1965] Jenkins and King [1965] Hill et al. [1968] Wagman et al. [1982] Dean [1992] Dubik et al. [1987] Dubik et al. [1987] see note see note Disselkamp et al. [1998] Bartlett and Margerum [1998] Frenzel et al. [1998] Berdnikov and Bazhin [1970] Mozurkewich [1986]
X M M R M T ? M M T T M M E T T
30 8
2 31 31 32 33 34

d ln kH d(1/T )
11
substance
kH [M/atm] 2.510 /KA 2.2109 /KA >4.5101 <4.5104 >4.1102 3.1 3.3 1.1 3.0 6.3103 8.0102 1.1102
9
[K]
reference
type
note
iodine (I)
hydrogen iodide HI [10034-85-2] hypoiodous acid HOI [14332-21-9] molecular iodine I2 [7553-56-2] iodine atom I [14362-44-8] iodine chloride ICl [7790-99-0] iodine bromide IBr [7789-33-5] 9800 9800 Brimblecombe and Clegg [1989] Wagman et al. [1982] Thompson and Zariou Thompson and Zariou Palmer et al. Berdnikov and Bazhin Wagman et al. Thompson and Zariou Palmer et al. Berdnikov and Bazhin Mozurkewich [1983] [1983] [1985] [1970] [1982] [1983] [1985] [1970] [1986] T T E E C R T C R T T T 20, 21
4600 4800 4400 2300
35 5
Wagman et al. [1982]
2.4101
Wagman et al. [1982]
12

d ln kH d(1/T )
substance
kH [M/atm] 1.010 1.0101 1.0101 1.0101 1.0101 1.0101 1.0101 8.7102 9.8102 1.2 1.2 1.1 1.2 1.4 1.2 1.2 1.2 1.2 1.2 1.2 1.5 1.2 1.2 1.4 1.3
3
[K] 2300 2100 2100 2200 2300 2000 2100 2200 3200 3100 3100 2800 3000 3100 3100 3200 3100 2900 3200 2900 2800
reference
type
note
sulfur (S)
hydrogen sulde H2 S [7783-06-4] Loomis Hine and Weimar Wilhelm et al. Edwards et al. Carroll and Mather Dean Lide and Frederikse De Bruyn et al. Kavanaugh and Trussell Sillen and Martell Hales and Sutter Liss and Slater Smith and Martell Wilhelm et al. Edwards et al. Durham et al. Chameides Homann and Jacob Jacob Pandis and Seinfeld Dean Maahs Maahs Lide and Frederikse Kavanaugh and Trussell Sander and Crutzen [1928] [1965] [1977] [1978] [1989] [1992] [1995] [1995] [1980] [1964] [1973] [1974] [1976] [1977] [1978] [1981] [1984] [1984] [1986] [1989] [1992] [1982] [1982] [1995] [1980] [1996] X R L L L ? L M X X c c X L L C T ? C C ? X X L X E 1
sulfur dioxide SO2 [7446-09-5]
3 1
2 11 1 3 18
sulfur trioxide SO3 [7446-11-9] sulfuric acid H2 SO4 [7664-93-9] sulfur hexauoride SF6 [2551-62-4]
see note
Gmitro and Vermeulen [1964]
36
2.4104
2400

d ln kH d(1/T )
13
substance
kH [M/atm] 3.710 3.8104 4.5104 4.5104 1.4103 1.4103 2.4103 2.5103 4.3103 4.3103 9.3103
4
[K] 360 92 530 450 1100 1500 1500 1900 1900 2200 2600
reference
type
note
rare gases
helium He [7440-59-7] neon Ne [7440-01-9] argon Ar [7440-37-1] krypton Kr [7439-90-9] xenon Xe [7440-63-3] radon Rn [10043-92-2] selenium hydride H2 Se [7783-07-5] phosphorus trihydride PH3 (phosphine) [7803-51-2] arsenic hydride AsH3 (arsine) [7784-42-1] mercury Hg [7439-97-6] Morrison and Johnstone [1954] Wilhelm et al. [1977] Morrison and Johnstone [1954] Wilhelm et al. [1977] Morrison and Johnstone [1954] Wilhelm et al. [1977] Morrison and Johnstone [1954] Wilhelm et al. [1977] Morrison and Johnstone [1954] Wilhelm et al. [1977] Wilhelm et al. [1977] M L M L M L M L M L L 37
37
other elements
8.4102 1900 Wilhelm et al. [1977] L
8.1103
2000
8.9103
2100
9.3102
Brimblecombe [1986]
38
14
Data Table (Organic)

kH [M/atm] 9.2103 1.4103 9.7104 1.5103 1.4103 1.3103 1.3103 1.4103 1.5103 1.3103 1.1102 2.0103 1.8103 2.0103 1.9103 2.0103 1.4103 1.5103 1.4103 1.5103 1.4103 4.9103 1.1103 1.2103 1.1103 1.1103 8.5104 8.1104 8.4104 8.7104 4.6104 5.9104 2.7104 8.0104 8.1104 7.9104 7.3104 7.3104
d ln kH d(1/T )
substance
[K]
reference
type
note
alkanes (C and H only)

methane CH4 Butler and Ramchandani Hine and Weimar Liss and Slater Hine and Mookerjee Wilhelm et al. Mackay and Shiu Dean Lide and Frederikse Yaws and Yang Kavanaugh and Trussell Butler and Ramchandani Hine and Mookerjee Wilhelm et al. Mackay and Shiu Lide and Frederikse Yaws and Yang Hine and Mookerjee Wilhelm et al. Mackay and Shiu Lide and Frederikse Yaws and Yang Butler and Ramchandani Hine and Mookerjee Wilhelm et al. Mackay and Shiu Yaws and Yang Hine and Mookerjee Wilhelm et al. Mackay and Shiu Yaws and Yang Hine and Mookerjee Wilhelm et al. Mackay and Shiu Hine and Mookerjee Mackay and Shiu Yaws and Yang Mackay and Shiu Yaws and Yang [1935] [1965] [1974] [1975] [1977] [1981] [1992] [1995] [1992] [1980] [1935] [1975] [1977] [1981] [1995] [1992] [1975] [1977] [1981] [1995] [1992] [1935] [1975] [1977] [1981] [1992] [1975] [1977] [1981] [1992] [1975] [1977] [1981] [1975] [1981] [1992] [1981] [1992] V R C V L L ? L ? X V V L L L ? V L L L ? V V L L ? V L L ? V L L V L ? L ?
1700 1900 1600 1800
2 14 39 3
ethane C2 H6
2400 2300
39
propane C3 H8
2700 2700
39
butane C4 H10
3100
39
2-methylpropane HC(CH3 )3 (isobutane) dimethylpropane C(CH3 )4 (neopentane) pentane C5 H12 2-methylbutane C5 H12 (isopentane) 2,2-dimethylpropane C5 H12
2700
39
3400
39 39
4.7104
Yaws and Yang [1992]
39

d ln kH d(1/T )
15
substance hexane C6 H14
2-methylpentane C6 H14 (isohexane) [107-83-5] 3-methylpentane C6 H14 2,2-dimethylbutane C6 H14 2,3-dimethylbutane C6 H14 heptane C7 H16
kH [M/atm] 5.5104 6.0104 7.7104 1.0103 5.8104 6.0104 5.8104 1.3101 5.9104 5.9104 8.9104 5.1104 5.9104 6.6104 7.8104 7.7104 4.9104 4.4104 1.2103 3.7104 1.2103 2.9104 1.9103 2.9104 1.9103 4.2104 3.2104 3.2104 3.1104 5.8104 5.8104 3.2104 3.4104 3.4104 5.4104 5.5104 3.9104
[K]
reference Hine and Mookerjee Mackay and Shiu Yaws and Yang Ashworth et al. Hine and Mookerjee Mackay and Shiu Yaws and Yang Ashworth et al. Hine and Mookerjee Mackay and Shiu Yaws and Yang Hine and Mookerjee Mackay and Shiu Yaws and Yang Mackay and Shiu Yaws and Yang Hine and Mookerjee Mackay and Shiu Hansen et al. Yaws and Yang Hansen et al. Mackay and Shiu Hansen et al. Yaws and Yang Hansen et al. Mackay and Shiu Yaws and Yang [1975] [1981] [1992] [1988] [1975] [1981] [1992] [1988] [1975] [1981] [1992] [1975] [1981] [1992] [1981] [1992] [1975] [1981] [1995] [1992] [1993] [1981] [1995] [1992] [1993] [1981] [1992]
type V L ? X V L ? X V L ? V L ? L ? V L L ? X L M ? X L ? L ? L ? V L ? L ? ?
note
7500
39 3
960
39 3
39
39 39
3700 3700 -3600 -3500
39 3 40 39 3 39
2-methylhexane C7 H16
3-methylhexane C7 H16 2,2-dimethylpentane C7 H16 2,3-dimethylpentane C7 H16 2,4-dimethylpentane C7 H16 3,3-dimethylpentane C7 H16 3-ethylpentane C7 H16 2,2,3-trimethylbutane C7 H16
Mackay and Shiu [1981] Yaws and Yang [1992] Mackay and Shiu [1981] Yaws and Yang [1992] Hine and Mookerjee Mackay and Shiu Yaws and Yang Mackay and Shiu Yaws and Yang [1975] [1981] [1992] [1981] [1992]
39
39
39 39 39
4.1104
39
16

d ln kH d(1/T )
substance octane C8 H18
2-methylheptane C8 H18 3-methylheptane C8 H18 4-methylheptane C8 H18 2,2-dimethylhexane C8 H18 2,3-dimethylhexane C8 H18 2,4-dimethylhexane C8 H18 2,5-dimethylhexane C8 H18 3,3-dimethylhexane C8 H18 3,4-dimethylhexane C8 H18
kH [M/atm] 3.1104 3.4104 2.0104 2.9103 2.7104 2.7104 2.7104 2.7104 2.7104
[K]
reference Hine and Mookerjee Mackay and Shiu Yaws and Yang Hansen et al. Ho et al. Yaws and Yang [1975] [1981] [1992] [1993] [1993] [1992]
type V L ? X ? ? L ? ?
note
7800
39 3 13 39
Mackay and Shiu [1981] Yaws and Yang [1992] Yaws and Yang [1992]
39 39
2.9104
39
2.6104
39
2.8104
39
3.0104
39
2.6104
39
2.4104
39

d ln kH d(1/T )
17
substance 3-ethylhexane C8 H18 2,2,3-trimethylpentane C8 H18 2,2,4-trimethylpentane C8 H18 2,3,3-trimethylpentane C8 H18 2,3,4-trimethylpentane C8 H18 3-ethyl-2-methylpentane C8 H18 3-ethyl-3-methylpentane C8 H18 2,2,3,3-tetramethylbutane C8 H18
kH [M/atm] 2.6104
[K]
reference Yaws and Yang [1992]
type ?
note 39
2.6104
39
3.3104 3.1104 3.0104 2.4104
Hine and Mookerjee Mackay and Shiu Yaws and Yang Yaws and Yang
[1975] [1981] [1992] [1992]
V L ? ?
39 39
5.3104 5.7104 2.6104
L ? ?
39 39
2.3104
39
2.6104
39
18

d ln kH d(1/T )
substance nonane C9 H20 2-methyloctane C9 H20 3-methyloctane C9 H20 4-methyloctane C9 H20 2,3-dimethylheptane C9 H20 2,2-dimethylheptane C9 H20 2,4-dimethylheptane C9 H20 2,5-dimethylheptane C9 H20 2,6-dimethylheptane C9 H20 3,3-dimethylheptane C9 H20 3,4-dimethylheptane C9 H20 3,5-dimethylheptane C9 H20 4,4-dimethylheptane C9 H20 3-ethylheptane C9 H20 4-ethylheptane C9 H20
kH [M/atm] 2.0104 1.7104 2.4103 2.1104
[K]
reference Mackay and Shiu Yaws and Yang Ashworth et al. Yaws and Yang [1981] [1992] [1988] [1992]
type L ? X ?
note
210
39 3 39
2.0104
39
1.0104 1.0104 1.9104
L ? ?
39 39
2.1104
39
2.1104
39
2.0104
39
2.1104
39
1.9104
39
1.8104
39
2.0104
39
1.9104
39
1.9104
39
1.9104
39

d ln kH d(1/T )
19
substance 2,2,3-trimethylhexane C9 H20 2,2,4-trimethylhexane C9 H20 2,2,5-trimethylhexane C9 H20 2,3,3-trimethylhexane C9 H20 2,3,4-trimethylhexane C9 H20 2,3,5-trimethylhexane C9 H20 2,4,4-trimethylhexane C9 H20 3,3,4-trimethylhexane C9 H20 3-ethyl-2-methylhexane C9 H20 4-ethyl-2-methylhexane C9 H20 3-ethyl-3-methylhexane C9 H20 3-ethyl-4-methylhexane C9 H20 2,2,3,3-tetramethylpentane C9 H20 2,2,3,4-tetramethylpentane C9 H20 2,2,4,4-tetramethylpentane C9 H20 2,3,3,4-tetramethylpentane C9 H20
kH [M/atm] 1.9104
[K]
type ?
note 39
2.1104
39
2.9104 1.9104 1.7104
L ? ?
39 39
1.8104
39
2.0104
39
1.9104
39
1.7104
39
1.9104
39
2.1104
39
1.7104
39
1.8104
39
1.6104
39
1.7104
39
1.9104
39
1.6104
39
20

d ln kH d(1/T )
substance 3-ethyl-2,2-dimethylpentane C9 H20 3-ethyl-2,3-dimethylpentane C9 H20 3-ethyl-2,4-dimethylpentane C9 H20 3,3-diethylpentane C9 H20 decane C10 H22 2-methylnonane C10 H22 3-methylnonane C10 H22 4-methylnonane C10 H22 5-methylnonane C10 H22 2,2-dimethyloctane C10 H22 2,3-dimethyloctane C10 H22 2,4-dimethyloctane C10 H22 2,5-dimethyloctane C10 H22 2,6-dimethyloctane C10 H22
kH [M/atm] 1.8104
[K]
type ?
note 39
1.5104
39
1.8104
39
1.5104
39
1.4104 2.1104 1.8104
L ? ?
39 39
1.7104
39
1.7104
39
1.7104
39
1.7104
39
1.5104
39
1.7104
39
1.6104
39
1.6104
39

d ln kH d(1/T )
21
substance 2,7-dimethyloctane C10 H22 3,3-dimethyloctane C10 H22 3,4-dimethyloctane C10 H22 3,5-dimethyloctane C10 H22 3,6-dimethyloctane C10 H22 4,4-dimethyloctane C10 H22 4,5-dimethyloctane C10 H22 3-ethyloctane C10 H22 4-ethyloctane C10 H22 2,2,3-trimethylheptane C10 H22 2,2,4-trimethylheptane C10 H22
kH [M/atm] 1.7104
[K]
type ?
note 39
1.5104
39
1.5104
39
1.6104
39
1.6104
39
1.5104
39
1.5104
39
1.6104
39
1.6104
39
1.5104
39
1.6104
39
22

d ln kH d(1/T )
substance 2,2,5-trimethylheptane C10 H22 2,2,6-trimethylheptane C10 H22 2,3,3-trimethylheptane C10 H22 2,3,4-trimethylheptane C10 H22 2,3,5-trimethylheptane C10 H22 2,3,6-trimethylheptane C10 H22 2,4,4-trimethylheptane C10 H22 2,4,5-trimethylheptane C10 H22 2,4,6-trimethylheptane C10 H22 2,5,5-trimethylheptane C10 H22 3,3,4-trimethylheptane C10 H22 3,3,5-trimethylheptane C10 H22 3,4,4-trimethylheptane C10 H22 3,4,5-trimethylheptane C10 H22
kH [M/atm] 1.6104
[K]
type ?
note 39
1.7104
39
1.4104
39
1.4104
39
1.4104
39
1.6104
39
1.5104
39
1.5104
39
1.8104
39
1.5104
39
1.3104
39
1.4104
39
1.3104
39
1.4104
39

d ln kH d(1/T )
23
substance 3-ethyl-2-methylheptane C10 H22 4-ethyl-2-methylheptane C10 H22 5-ethyl-2-methylheptane C10 H22 3-ethyl-3-methylheptane C10 H22 4-ethyl-3-methylheptane C10 H22 3-ethyl-5-methylheptane C10 H22 3-ethyl-4-methylheptane C10 H22 4-ethyl-4-methylheptane C10 H22 4-propylheptane C10 H22 4-isopropylheptane C10 H22 2,2,3,3-tetramethylhexane C10 H22 2,2,3,4-tetramethylhexane C10 H22
kH [M/atm] 1.5104
[K]
type ?
note 39
1.6104
39
1.6104
39
1.4104
39
1.4104
39
1.6104
39
1.4104
39
1.4104
39
1.7104
39
1.5104
39
1.2104
39
1.2104
39
24

d ln kH d(1/T )
substance 2,2,3,5-tetramethylhexane C10 H22 2,2,4,4-tetramethylhexane C10 H22 2,2,4,5-tetramethylhexane C10 H22 2,2,5,5-tetramethylhexane C10 H22 2,3,3,4-tetramethylhexane C10 H22 2,3,3,5-tetramethylhexane C10 H22 2,3,4,4-tetramethylhexane C10 H22 2,3,4,5-tetramethylhexane C10 H22 3,3,4,4-tetramethylhexane C10 H22 3-ethyl-2,2-dimethylhexane C10 H22 4-ethyl-2,2-dimethylhexane C10 H22 3-ethyl-2,3-dimethylhexane C10 H22 4-ethyl-2,3-dimethylhexane C10 H22 3-ethyl-2,4-dimethylhexane C10 H22 4-ethyl-2,4-dimethylhexane C10 H22 3-ethyl-2,5-dimethylhexane C10 H22
kH [M/atm] 1.6104
[K]
type ?
note 39
1.2104
39
1.5104
39
1.8104
39
1.2104
39
1.4104
39
1.2104
39
1.4104
39
1.0104
39
1.4104
39
1.6104
39
1.3104
39
1.4104
39
1.4104
39
1.3104
39
1.5104
39

d ln kH d(1/T )
25
substance 4-ethyl-3,3-dimethylhexane C10 H22 3-ethyl-3,4-dimethylhexane C10 H22 3,3-diethylhexane C10 H22 3,4-diethylhexane C10 H22 3-isopropyl-2-methylhexane C10 H22 2,2,3,3,4-pentamethylpentane C10 H22 2,2,3,4,4-pentamethylpentane C10 H22 3-ethyl-2,2,3-trimethylpentane C10 H22 3-ethyl-2,2,4-trimethylpentane C10 H22 3-ethyl-2,3,4-trimethylpentane C10 H22 3,3-diethyl-2-methylpentane C10 H22 2,4-dimethyl-3-isopropylpentane C10 H22
kH [M/atm] 1.3104
[K]
type ?
note 39
1.3104
39
1.3104
39
1.4104
39
1.1104
39
1.0104
39
1.0104
39
1.0104
39
1.3104
39
1.1104
39
1.1104
39
1.3104
39
26

d ln kH d(1/T )
substance undecane C11 H24 dodecane C12 H26 tridecane C13 H28 tetradecane C14 H30 pentadecane C15 H32 hexadecane C16 H34 heptadecane C17 H36 octadecane C18 H38 nonadecane C19 H40 eicosane C20 H42
kH [M/atm] 5.5105 5.5104 1.4104 1.4104 4.3104
[K]
reference Mackay and Shiu [1981] Yaws and Yang [1992] Mackay and Shiu [1981] Yaws and Yang [1992] Yaws and Yang [1992]
type L ? L ? ?
note
39
39 39
8.8104
39
2.1103
39
4.3103
39
1.8102
39
1.1101
39
3.4101
39
3.1
39

d ln kH d(1/T )
27
substance
kH [M/atm] 1.1102 1.3102 5.4103 5.5103 6.6103 5.4103 6.6103 5.1103 5.6103 5.2103 5.6103 6.3103 1.6101 1.1102 9.9103 9.6103 2.8103 2.8103 2.8103 2.3103 2.5103 9.7103 2.3103 9.4103 2.8103 2.8103 2.8103 2.1103
[K] 1700
reference
type
note
cycloalkanes (C and H only)

cyclopropane C3 H6 cyclopentane C5 H10 Wilhelm et al. [1977] Yaws and Yang [1992] Hine and Mookerjee Mackay and Shiu Hansen et al. Yaws and Yang Hansen et al. Hine and Mookerjee Mackay and Shiu Yaws and Yang Ashworth et al. USEPA Ho et al. Yaws and Yang [1975] [1981] [1995] [1992] [1993] [1975] [1981] [1992] [1988] [1982] [1993] [1992] L ? V L M ? X V L ? X X ? ? ? ? V L ? V L M ? X V L ? ? 39, 41
3400 3300
39 3
cyclohexane C6 H12
3200 710
cycloheptane C7 H14 cyclooctane C8 H16 methylcyclopentane C5 H9 CH3 methylcyclohexane C6 H11 CH3
39 3 3 13 39 13 39
Ho et al. [1993] Yaws and Yang [1992] Hine and Mookerjee Mackay and Shiu Yaws and Yang Hine and Mookerjee Mackay and Shiu Hansen et al. Yaws and Yang Hansen et al. Hine and Mookerjee Mackay and Shiu Yaws and Yang Yaws and Yang [1975] [1981] [1992] [1975] [1981] [1995] [1992] [1993] [1975] [1981] [1992] [1992]
39
9400 9100
39 3
cis-1,2-dimethylcyclohexane C6 H10 (CH3 )2 trans-1,2-dimethylcyclohexane C6 H10 (CH3 )2 trans-1,4-dimethylcyclohexane C6 H10 (CH3 )2 1,1,3-trimethylcyclopentane C5 H7 (CH3 )3 propylcyclopentane C5 H9 C3 H7 pentylcyclopentane C5 H9 C5 H11 decahydronaphthalene C10 H18 (decalin) [91-17-8]
39 39
1.1103 1.1103 6.4104
Mackay and Shiu [1981] Yaws and Yang [1992] Mackay and Shiu [1981]
L ? L
39
1.1103 1.1103 5.5104 5.5104 7.3103 4100
Mackay and Shiu [1981] Yaws and Yang [1992] Mackay and Shiu [1981] Yaws and Yang [1992] Ashworth et al. [1988]
L ? L ? X
39
39 3
28

d ln kH d(1/T )
substance
kH [M/atm] 4.9103 4.7103 4.7103 4.7103 4.9103 4.8103 4.8103 7.4103 4.8103 4.8103 4.0103 1.3102 1.4103 4.0103 4.3103
[K]
reference
type
note
aliphatic alkenes and cycloalkenes (C and H only)

ethene C2 H4 (ethylene) Loomis Hine and Mookerjee Wilhelm et al. Mackay and Shiu Seinfeld Yaws and Yang Hine and Mookerjee Wilhelm et al. Mackay and Shiu Yaws and Yang Hine and Mookerjee Wilhelm et al. Mackay and Shiu Yaws and Yang Irrmann [1928] [1975] [1977] [1981] [1986] [1992] [1975] [1977] [1981] [1992] [1975] [1977] [1981] [1992] [1965] X V L L ? ? V L L ? V L L ? X 1
1800
13 39
propene C3 H6 (propylene) 1-butene C4 H8
3400
39
6400
cis-2-butene C4 H8 trans-2-butene C4 H8 2-methylpropene C4 H8 (isobutene) 1-pentene C5 H10 cis-2-pentene C5 H10 trans-2-pentene C5 H10 2-methyl-2-butene C5 H10 3-methyl-1-butene C5 H10
39 42
4.4103
Irrmann [1965]
42
4.7103 5.7103 1.6103 4.8103 2.5103 2.5103 2.5103 4.4103 4.4103 4.3103 4.3103 4.5103
3000
Hine and Mookerjee Wilhelm et al. Mackay and Shiu Yaws and Yang Hine and Mookerjee Mackay and Shiu Yaws and Yang Mackay and Shiu Yaws and Yang
[1975] [1977] [1981] [1992] [1975] [1981] [1992] [1981] [1992]
V L L ? V L ? L ? V ? V
39
39 39
Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee [1975]
39
1.9103 1.9103 1.9103
Hine and Mookerjee [1975] Mackay and Shiu [1981] Yaws and Yang [1992]
V L ?
39

d ln kH d(1/T )
29
substance 1-hexene C6 H12 2-methyl-1-pentene C6 H12 4-methyl-1-pentene C6 H12 1-heptene C7 H14 trans-2-heptene C7 H14 1-octene C8 H16 1-nonene C9 H18 1,3-butadiene C4 H6
kH [M/atm] 2.4103 2.4103 3.3103 3.6103 3.6103 1.6103 1.6103 1.6103 2.5103
[K]
reference Hine and Mookerjee Mackay and Shiu Yaws and Yang Mackay and Shiu Yaws and Yang Hine and Mookerjee Mackay and Shiu Yaws and Yang Yaws and Yang [1975] [1981] [1992] [1981] [1992] [1975] [1981] [1992] [1992]
type V L ? L ? V L ? ?
note
39 39
39 39
2.5103 2.4103 1.1103 1.1103 1.6103 1.2103
Hine and Mookerjee [1975] Mackay and Shiu [1981] Hine and Mookerjee Mackay and Shiu Yaws and Yang Yaws and Yang [1975] [1981] [1992] [1992]
V L V L ? ?
39 39
methylbutadiene C5 H8 (isoprene) 1,4-pentadiene C5 H8 1,5-hexadiene C6 H10 2,3-dimethyl-1,3-butadiene C6 H10 cyclopentene C5 H8 cyclohexene C6 H10 1-methylcyclohexene C6 H9 CH3 1,3,5-cycloheptatriene C7 H8
1.6102 1.4102 1.4102 1.4102 1.3102 1.3102 2.8102 1.3102 8.3103 8.4103 8.5103 7.4103
4500
Hine and Mookerjee Wilhelm et al. Mackay and Shiu Yaws and Yang Hine and Mookerjee Mackay and Shiu Karl and Lindinger Yaws and Yang Hine and Mookerjee Mackay and Shiu Yaws and Yang Hine and Mookerjee
[1975] [1977] [1981] [1992] [1975] [1981] [1997] [1992] [1975] [1981] [1992] [1975]
V L L ? V L M ? V L ? V
39
43 39
39
2.1102
Hine and Mookerjee [1975]
1.6102 1.5102 2.2102 2.6102 2.2102 1.3102
Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee Nielsen et al. Yaws and Yang Hine and Mookerjee [1975] [1994] [1992] [1975]
V ? V M ? V
39
39
2.1101
39
30

d ln kH d(1/T )
substance
kH [M/atm] 4.2102 4.1102 3.9102 9.2102 9.1102 9.4102 see note 5.4102 7.6102 5.3102 5.5102 4.0102 4.1102 2.0102 2.5102 4.6102 1.5102 1.4102 1.2102 1.2102 6.9103 7.0103 3.8102
[K]
reference
type
note
aliphatic alkynes (C and H only)

ethyne C2 H2 (acetylene) propyne CH3 CCH (methylacetylene) 1-butyne C2 H5 CCH (ethylacetylene) 1-pentyne C3 H7 CCH 1-hexyne C4 H9 CCH 1-heptyne C5 H11 CCH 1-octyne C6 H13 CCH 1-nonyne C7 H15 CCH 3-buten-1-yne CH2 CHCCH (vinylacetylene) butadiyne C4 H2 (biacetylene) 1800 Hine and Mookerjee [1975] Wilhelm et al. [1977] Yaws and Yang [1992] Hine and Mookerjee Mackay and Shiu Yaws and Yang Wilhelm et al. Hine and Mookerjee Wilhelm et al. Mackay and Shiu Yaws and Yang Hine and Mookerjee Mackay and Shiu Yaws and Yang Hine and Mookerjee Yaws and Yang [1975] [1981] [1992] [1977] [1975] [1977] [1981] [1992] [1975] [1981] [1992] [1975] [1992] V L ? V L ? ? V L L ? V L ? V ? V ? V ? V ? L
39
39 44
1900
39
39 39
Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee [1975] Yaws and Yang [1992] 1700 Wilhelm et al. [1977]
39
39
39
1.9101
39

d ln kH d(1/T )
31
substance
kH [M/atm] 1.8101 1.8101 1.8101 1.8101 1.8101 1.9101 2.1101 2.1101 1.8101 1.6101 1.8101 1.7101 2.2101 1.8101 1.8101 1.7101 1.8101 1.9101 1.2101 1.6101 1.6101 1.8101 1.8101 1.8101 1.5101 1.5101 1.5101 1.5101 1.5101 1.6101 1.6101 1.5101 1.6101 1.8101 1.9101 1.7101 1.8101 1.3101 2.1101 1.6101 1.5101 1.5101 1.4101 1.5101 1.5101 1.5101 1.7101 1.6101
[K]
reference
type
note
mononuclear aromatics (C and H only)

benzene C6 H6 [71-43-2] Hine and Mookerjee Mackay et al. Mackay et al. Mackay and Shiu Ettre et al. Robbins et al. Nielsen et al. Dewulf et al. Vitenberg et al. Wasik and Tsang Bohon and Claussen Ho et al. Hartkopf and Karger Karl and Lindinger Yaws and Yang Cooling et al. USEPA Kavanaugh and Trussell Ervin et al. Staudinger and Roberts Bissonette et al. Ashworth et al. Leighton and Calo Allen et al. McAulie Hine and Mookerjee Mackay et al. Mackay et al. Mackay and Shiu Kolb et al. Ettre et al. Robbins et al. Nielsen et al. Dewulf et al. Vitenberg et al. Wasik and Tsang Bohon and Claussen Ho et al. Hartkopf and Karger Yaws and Yang USEPA Staudinger and Roberts Bissonette et al. Ashworth et al. Leighton and Calo Ervin et al. Lamarche and Droste Allen et al. [1975] [1979] [1979] [1981] [1993] [1993] [1994] [1995] [1975] [1970] [1951] [1993] [1973] [1997] [1992] [1992] [1982] [1980] [1980] [1996] [1990] [1988] [1981] [1998] [1971] [1975] [1979] [1979] [1981] [1992] [1993] [1993] [1994] [1995] [1975] [1970] [1951] [1993] [1973] [1992] [1982] [1996] [1990] [1988] [1981] [1980] [1989] [1998] V M T L X M M M M M V M M M ? X X X X L X X X E X V M T L X X M M M M M V M M ? X L X X X X X E
45
3800 3600 4500
4200
3900 2200 4300 5300 4100 4300 3200 4000
43 39 3 3 3 3 3 3 3 45
methylbenzene C6 H5 CH3 (toluene) [108-88-3]
45 45
3400 4100 5900
4600 1900 4000 5000 3000 3700 4900 8400
39 3 3 3 3 3 3
32

d ln kH d(1/T )
substance 1,2-dimethylbenzene C6 H4 (CH3 )2 (o-xylene) [95-47-6]
1,3-dimethylbenzene C6 H4 (CH3 )2 (m-xylene) [108-38-3]
1,4-dimethylbenzene C6 H4 (CH3 )2 (p-xylene) [106-42-3]
1,2,3-trimethylbenzene C6 H3 (CH3 )3 [526-73-8] 1,2,4-trimethylbenzene C6 H3 (CH3 )3 [95-63-6]
kH [M/atm] 1.9101 2.0101 1.9101 2.5101 2.9101 2.4101 1.9101 1.9101 2.1101 1.6101 1.4101 1.6101 1.7101 1.5101 1.3101 1.3101 1.4101 1.6101 1.4101 1.7101 1.6101 2.3101 1.6101 1.2101 1.2101 1.3101 1.3101 3.1101 2.7101 1.7101 1.7101 1.5101 1.8101 1.5101 1.7101 1.2101 1.4101 4.0102 3.9102
[K]
reference Hine and Mookerjee Mackay and Shiu Robbins et al. Dewulf et al. Wasik and Tsang Yaws and Yang Ashworth et al. Staudinger and Roberts Bissonette et al. Hine and Mookerjee Mackay and Shiu Dewulf et al. Bohon and Claussen Yaws and Yang Ashworth et al. Staudinger and Roberts Bissonette et al. Hine and Mookerjee Mackay and Shiu Dewulf et al. Bohon and Claussen Wasik and Tsang Yaws and Yang Hansen et al. Bissonette et al. Ashworth et al. Staudinger and Roberts Mackay and Shiu Yaws and Yang Hine and Mookerjee Mackay and Shiu Hansen et al. Yaws and Yang Hansen et al. Mackay and Shiu Yaws and Yang Ashworth et al. [1975] [1981] [1993] [1995] [1970] [1992] [1988] [1996] [1990] [1975] [1981] [1995] [1951] [1992] [1988] [1996] [1990] [1975] [1981] [1995] [1951] [1970] [1992] [1993] [1990] [1988] [1996] [1981] [1992] [1975] [1981] [1995] [1992] [1993] [1981] [1992] [1988]
type V L M M M ? X L X V L M V ? X L X V L M V M ? X X X L L ? V L M ? X L ? X L ?
note
3400 4200 5400 3200 4000 5600
39 3 3
4000
3300 4200 6000
39 3 3
4500 5400 3000 5300 3500 3800
39 3 3 3
39
4300 4200
39 3 39 3
1,3,5-trimethylbenzene C6 H3 (CH3 )3 (mesitylene) [108-67-8] 1,2,4,5-tetramethylbenzene C6 H2 (CH3 )4
3600
Mackay and Shiu [1981] Yaws and Yang [1992]
39

d ln kH d(1/T )
33
substance ethylbenzene C6 H5 C2 H5 [100-41-4]
propylbenzene C6 H5 C3 H7 [103-65-1] (2-propyl)-benzene C6 H5 C3 H7 (isopropylbenzene, cumene) [98-82-8] 1-ethyl-2-methylbenzene C6 H4 CH3 C2 H5 (o-ethyltoluene) [611-14-3] 1-ethyl-4-methylbenzene C6 H4 CH3 C2 H5 (p-ethyltoluene) [622-96-8] butylbenzene C6 H5 C4 H9 [104-51-8] 2-methylpropylbenzene C6 H5 C4 H9 [538-93-2] sec-butylbenzene C6 H5 C4 H9 [135-98-8] tert-butylbenzene C6 H5 C4 H9 [98-06-6] 1-isopropyl-4-methylbenzene C6 H4 CH3 C3 H7
kH [M/atm] 1.2101 1.2101 1.1101 1.3101 1.3101 1.5101 1.5101 1.1101 1.7101 1.2101 1.2101 1.6101 1.1101 1.2101 1.4101 1.3101 1.0101 1.4101 9.8102 9.1102 6.8102 7.8101 6.9102 6.9102 8.8102 2.4101 2.3101
[K]
reference Hine and Mookerjee Mackay et al. Mackay et al. Mackay and Shiu Robbins et al. Dewulf et al. Bohon and Claussen Ho et al. Hartkopf and Karger Yaws and Yang Staudinger and Roberts USEPA Bissonette et al. Ashworth et al. Ervin et al. Allen et al. Hine and Mookerjee Mackay and Shiu Yaws and Yang Ashworth et al. Hine and Mookerjee Mackay and Shiu Ho et al. Yaws and Yang Hansen et al. Mackay and Shiu Yaws and Yang [1975] [1979] [1979] [1981] [1993] [1995] [1951] [1993] [1973] [1992] [1996] [1982] [1990] [1988] [1980] [1998] [1975] [1981] [1992] [1988] [1975] [1981] [1993] [1992] [1993] [1981] [1992]
type V M T L M M V ? M ? L X X X X E V L ? X V L ? ? X L ?
note
4600 4600
13 39 3 3 3 3
6100 5100 1700 5500 5000 5500
3700
39 3
3200
13 39 3 39
2.0101 2.0101
L ?
39
8.0102 7.8102 7.6102 3.1102
Hine and Mookerjee Mackay and Shiu Yaws and Yang Mackay and Shiu
[1975] [1981] [1992] [1981]
V L ? L
39
8.7102 7.2102 8.5102 8.4102 1.3101
Hine and Mookerjee [1975] Mackay and Shiu [1981] Hine and Mookerjee [1975] Mackay and Shiu [1981] Mackay and Shiu [1981]
V L V L L
34

d ln kH d(1/T )
substance pentylbenzene C6 H5 C5 H11 hexylbenzene C6 H5 C6 H13 C6 H5 C5 H11 (tert-amylbenzene) ethenylbenzene C8 H8 (styrene) 1-ethenyl-3-methylbenzene C9 H10 (m-methylstyrene) 1-ethenyl-4-methylbenzene C9 H10 (p-methylstyrene)
kH [M/atm] 1.7101 6.0102 4.6102
[K]
reference Mackay and Shiu [1981] Yaws and Yang [1992] Yaws and Yang [1992]
type L ? ?
note
39 39
5.5102
3.7101 2.9101 3.8101 2.6101
4800 4200
Yaws and Yang [1992] Bissonette et al. [1990] USEPA [1982] Yaws and Yang [1992]
? X X ?
39 3 3 39
3.5101
39

d ln kH d(1/T )
35
substance
kH [M/atm] 4.9102
[K]
reference
type
note
terpenes and polynuclear aromatics (C and H only)

pinene C10 H16 [127-91-3] naphthalene C10 H8 Karl and Lindinger [1997] M 43
1-methylnaphthalene C10 H7 CH3 2-methylnaphthalene C10 H7 CH3
1-ethylnaphthalene C10 H7 C2 H5 2-ethylnaphthalene C10 H7 C2 H5 1,3-dimethylnaphthalene C12 H12 1,4-dimethylnaphthalene C12 H12 1,5-dimethylnaphthalene C12 H12 2,3-dimethylnaphthalene C12 H12 2,6-dimethylnaphthalene C12 H12 biphenyl (C6 H5 )2
2.4 2.1 2.1 2.4 1.9 8.1101 2.0 2.1 2.3 3.9 2.7 2.5 5.1103 2.0 5.1103 2.7 2.7 1.2 1.6 1.4
3600
1200 1200
Hine and Mookerjee Mackay et al. Mackay et al. Mackay and Shiu Bohon and Claussen Yaws and Yang Meylan and Howard USEPA Mackay and Shiu Mackay and Shiu Yaws and Yang Mackay and Shiu Hansen et al. Yaws and Yang Hansen et al. Mackay and Shiu Yaws and Yang
[1975] [1979] [1979] [1981] [1951] [1992] [1991] [1982] [1981] [1981] [1992] [1981] [1995] [1992] [1993] [1981] [1992]
V M T L V ? X X L M ? L M ? X L ? L ? ?
39 3 3
39
39 3 39
39 39
2.0
39
1.6
39
1.7
39
8.3101
39
2.5 3.6 3.3 1.2 1.2
Mackay et al. Mackay and Shiu Mackay and Shiu Bohon and Claussen Yaws and Yang
[1979] [1981] [1981] [1951] [1992]
M L M V ?
39
36

d ln kH d(1/T )
substance acenaphthene C12 H10 [83-32-9]
phenanthrene C14 H10
2,3-benzindene C13 H10 (uorene) [86-73-7] anthracene C14 H10 [120-12-7]
pyrene C16 H10 [129-00-0] uoranthene C16 H10 [206-44-0] benzo[a]uoranthene benzo[b]uoranthene benzo[k]uoranthene indeno[1,2,3-cd]pyrene benzo[a]pyrene C20 H12 [50-32-8] benzo[ghi]perylene C22 H12 [191-24-2] 1,2,3,4-tetrahydronaphthalene C10 H12 (tetralin) [119-64-2]
kH [M/atm] 1.3101 6.8 4.2 6.5101 4.1 6.5 3.9101 2.5101 2.5101 2.8101 2.8101 9.5 1.2101 1.0101 8.5 1.0101 5.6101 1.7101 1.4 1.5101 3.5101 8.4101 9.2101 4.6101 1.1102 1.7103 9.7101 1.5103 1.7103 2.9103 1.6101 2.2103 3.0103
[K]
reference Hine and Mookerjee Mackay et al. Mackay and Shiu Mackay and Shiu USEPA Meylan and Howard Hine and Mookerjee Mackay et al. Mackay and Shiu Mackay and Shiu Meylan and Howard USEPA Mackay and Shiu Mackay and Shiu USEPA Meylan and Howard Hine and Mookerjee Mackay and Shiu Mackay and Shiu Meylan and Howard USEPA Mackay and Shiu Mackay and Shiu [1975] [1979] [1981] [1981] [1982] [1991] [1975] [1979] [1981] [1981] [1991] [1982] [1981] [1981] [1982] [1991] [1975] [1981] [1981] [1991] [1982] [1981] [1981]
type V M L M X X V M L M X X L M X X V L M X X L M L X X X X X X X X X
note
2800
3 3
4700
3 3
3000
3 3
4000
3 3
6900 5900 1900 5500 5900 3600 110 4700 3200
Mackay and Shiu [1981] tenHulscher et al. [1992] tenHulscher et al. [1992] USEPA [1982] tenHulscher et al. [1992] tenHulscher et al. [1992] tenHulscher et al. [1992] USEPA [1982] tenHulscher et al. [1992] tenHulscher et al. [1992]
3 3 3 3 3 3 3 3 3
5.3101
5400
Ashworth et al. [1988]

d ln kH d(1/T )
37
substance
kH [M/atm] 2.3102 2.3102 2.1102 2.2102 2.2102 1.4102 1.6102 2.2102 1.9102 2.2102 1.6102 2.0102 1.9102 2.3102 1.2102 1.5102 2.0102 1.4102 1.6102 1.3102 1.5102 1.1102 1.2102 1.7102 1.3102 8.9101 1.2102 1.1102 1.4102 1.3102 1.2102 5.4101 9.8101 9.8101 1.1102 8.4101 1.0102
[K]
reference
type
note
alcohols (ROH) (C, H, and O only)

methanol CH3 OH Butler et al. Burnett Timmermans Ganey and Senum Snider and Dawson Yaws and Yang Schaer and Daubert Meylan and Howard Butler et al. Burnett Timmermans Ganey and Senum Snider and Dawson Rohrschneider Yaws and Yang Schaer and Daubert Meylan and Howard Butler et al. Burnett Snider and Dawson Snider and Dawson Yaws and Yang Butler et al. Hine and Weimar Snider and Dawson Yaws and Yang Butler et al. Buttery et al. Burnett Snider and Dawson Snider and Dawson Friant and Suet Butler et al. Butler et al. Snider and Dawson [1935] [1963] [1960] [1984] [1985] [1992] [1969] [1991] [1935] [1963] [1960] [1984] [1985] [1973] [1992] [1969] [1991] [1935] [1963] [1985] [1985] [1992] [1935] [1965] [1985] [1992] [1935] [1969] [1963] [1985] [1985] [1979] [1935] [1935] [1985] M M M,X X M ? X X M M M,X X M M ? X X M M M C ? M R M ? M M M M C M M V M M M 46 47 48 39 3 3
5200 5600
ethanol C2 H5 OH
47 48
6600
6400
1-propanol C3 H7 OH [71-23-8]
39 3 3 46
7500
39
2-propanol C3 H7 OH (isopropanol) [67-63-0] 1-butanol C4 H9 OH [71-36-3]
7500
39 46
7200
49
2-butanol C4 H10 O (sec-butanol) [78-92-2] 2-methyl-1-propanol C4 H10 O (isobutanol) [78-83-1] 2-methyl-2-propanol C4 H10 O (tert-butanol) [75-65-0]
7300
Butler et al. [1935] Snider and Dawson [1985]
8.4101 7.0101 see note
8300
Butler et al. [1935] Snider and Dawson [1985] Koga [1995]
M M M
50
38

d ln kH d(1/T )
substance 1-pentanol C5 H11 OH (amylalcohol) [71-41-0] 2-pentanol C5 H12 O (sec-pentanol) [6032-29-7] 2-methyl-1-butanol C5 H12 O (isopentanol) [137-32-6] 2-methyl-2-butanol C5 H12 O (tert-pentanol) [75-85-4] 2,2-dimethyl-1-propanol C5 H12 O [75-84-3] 1-hexanol C6 H13 OH [111-27-3] 3-hexanol C6 H14 O [623-37-0] 2-methyl-2-pentanol C6 H14 O [590-36-3] 4-methyl-2-pentanol C6 H14 O [108-11-2] 2-methyl-3-pentanol C6 H14 O [565-67-3] 2,3-dimethyl-2-butanol C6 H14 O [594-60-5] 1-heptanol C7 H15 OH [110-70-6] 1-octanol C8 H17 OH [111-87-5]
kH [M/atm] 7.7101 7.9101 8.2101 6.8101
[K]
reference Butler et al. [1935] Butler et al. [1935] Yaws and Yang [1992] Butler et al. [1935]
type M V ? M
note
39
7.1101
Butler et al. [1935]
7.3101
Butler et al. [1935]
5.0101
Saxena and Hildemann [1996]
51
6.5101 5.9101 6.5101 5.4101 2.0101
Butler et al. Buttery et al. Hine and Mookerjee Yaws and Yang Hine and Mookerjee
[1935] [1969] [1975] [1992] [1975]
V M V ? V
39
3.1101
2.2101
2.9101
3.0101
5.3101 5.4101 8.6101 4.1101 4.2101 4.0101 6.3101
Butler et al. Hine and Mookerjee Yaws and Yang Butler et al. Hine and Mookerjee Buttery et al. Yaws and Yang
[1935] [1975] [1992] [1935] [1975] [1969] [1992]
V V ? V V M ?
39
39

d ln kH d(1/T )
39
substance 1-nonanol C9 H19 OH 1-decanol C10 H21 OH 1-dodecanol C12 H25 OH 1-tetradecanol C14 H29 OH 1-pentadecanol C15 H31 OH 1-hexadecanol C16 H33 OH 1-heptadecanol C17 H35 OH 1-octadecanol C18 H37 OH cyclohexanol C6 H11 OH [108-93-0] 2-propen-1-ol C3 H5 OH (allyl alcohol) [107-18-6] 2-buten-1-ol CH3 CHCHCH2 OH 2-methyl-3-buten-2-ol [115-18-4]
kH [M/atm] 6.1101
[K]
type ?
note 39
3.7101
39
1.1101
39
3.9105
39
3.0105
39
6.0101
39
1.2103
39
9.2101
39, 52
1.7102
2.0102 1.8102 2.0102 4.4102 3.0102
7200
Pierotti et al. Yaws and Yang Meylan and Howard USEPA Saxena and Hildemann
[1957] [1992] [1991] [1982] [1996]
X ? X X E
53 39 3 3 51
6.5101
Iraci et al. [1998]
49
40

d ln kH d(1/T )
substance hydroxybenzene C6 H5 OH (phenol)
(hydroxymethyl)benzene C6 H5 CH2 OH (benzyl alcohol) [100-51-6] 4-tert-butylphenol (CH3 )3 CC6 H4 OH 1-hydroxy-2-methylbenzene HOC6 H4 CH3 (2-cresol, o-cresol) [95-48-7] 1-hydroxy-3-methylbenzene HOC6 H4 CH3 (3-cresol, m-cresol) [108-39-4] 1-hydroxy-4-methylbenzene HOC6 H4 CH3 (4-cresol, p-cresol) [106-44-5] 1,3-dimethyl-4-hydroxybenzene C8 H10 O (2,4-dimethylphenol) [105-67-9]
kH [M/atm] 4.9102 3.0103 2.9103 7.8102 1.9102 3.0103 1.9103 1.6103 9.0103
[K]
reference Hine and Weimar Ganey and Senum Parsons et al. Howe et al. Janini and Quaddora Meylan and Howard USEPA Tremp et al. Saxena and Hildemann [1965] [1984] [1971] [1987] [1986] [1991] [1982] [1993] [1996]
type R X M X X X X X E
note
6800 3600 7300
48 54 11 3 3 3 55,8 51
9.0102
7700
Parsons et al. [1972]
56
8.3102 8.3102 1.2103 2.6102 8.3102 1.4103 6.3102
7300 4600
7700
Ganey and Senum Parsons et al. Yaws and Yang Janini and Quaddora Meylan and Howard Yaws and Yang Janini and Quaddora
[1984] [1972] [1992] [1986] [1991] [1992] [1986]
X M ? X X ? X
48 56 39, 8 3 3 39, 8 3
1.0103 1.3103 2.5103 1.1103 5.3102 1.9101 4.1102
7200
4600 -3300 6600
Ganey and Senum Parsons et al. Yaws and Yang Meylan and Howard Janini and Quaddora Ashworth et al. USEPA
[1984] [1972] [1992] [1991] [1986] [1988] [1982]
X M ? X X X X
48 56 39, 8 3 3 3 3

d ln kH d(1/T )
41
substance
kH [M/atm] 1.7104 4.0106
[K]
reference
type
note
polyols (R(OH)n ) (C, H, and O only)

1,2-ethanediol HO(CH2 )2 OH (ethylene glycol) [107-21-1] 1,2-propanediol C3 H8 O2 1,3-propanediol C3 H8 O2 1,2,3-propanetriol C3 H8 O3 (glycerol) 1,3-butanediol C4 H10 O2 1,4-butanediol C4 H10 O2 2,3-butanediol C4 H10 O2 1,2,3-butanetriol C4 H10 O3 1,2,4-butanetriol C4 H10 O3 1,2,3,4-tetrahydroxy butane C4 H10 O4 1,5-pentanediol C5 H12 O2 2,3-pentanediol C5 H12 O2 2,4-pentanediol C5 H12 O2 1,2,3,4,5-pentahydroxy pentane C5 H12 O5 1,6-hexanediol C6 H14 O2 Butler and Ramchandani [1935] Bone et al. [1983] M M 57 8
> 1.0105 < 6.0106 9.2105
Saxena and Hildemann [1996] Saxena and Hildemann [1996] Bone et al. [1983]
E E M
51 51 8
6.0104 > 6.0108 < 4.01011 5.0106
Butler and Ramchandani [1935] Saxena and Hildemann [1996] Saxena and Hildemann [1996] Saxena and Hildemann [1996]
M E E E
57 51 51 51
> 1.0105 < 5.0106 > 4.0104 < 4.0106 3.01011
Saxena and Hildemann [1996] Saxena and Hildemann [1996] Saxena and Hildemann [1996] Saxena and Hildemann [1996] Saxena and Hildemann [1996]
E E E E E
51 51 51 51 51
3.01011
51
2.01016
51
4.0106
51
3.0106
51
3.0106
51
9.01020
51
3.0106
51
42

d ln kH d(1/T )
substance 2,5-hexanediol C6 H14 O2 2-methyl-1,3-pentanediol C6 H14 O2 2-methyl-2,4-pentanediol C6 H14 O2 1,2,6-hexanetriol C6 H14 O3 1,2,3,4,5,6-hexahydroxy hexane C6 H14 O6 1,2,4,5-tetrahydroxy cyclohexane C6 H12 O4 1,2,3,4,5,6-hexahydroxy cyclohexane C6 H12 O6 1,7-heptanediol C7 H16 O2 2,4-heptanediol C7 H16 O2 2,3-diethyl-1,3-propanediol C7 H16 O2 2-ethyl-1,3-hexanediol C8 H18 O2 1,2,3,4,5-pentahydroxy heptane C7 H16 O5 1,2,3,4,6-pentahydroxy heptane C7 H16 O5 1,2,3,5,7-pentahydroxy heptane C7 H16 O5 1,2,3,4,5,6-hexahydroxy heptane C7 H16 O6
kH [M/atm] 2.0106
[K]
reference Saxena and Hildemann [1996]
type E
note 51
3.0106
51
2.0106
51
2.01011
51
4.01025
51
4.01016
51
1.01026
51
2.0106
51
2.0106
51
2.0106
51
2.0106
51
5.01020
51
4.01020
51
5.01020
51
3.01025
51

d ln kH d(1/T )
43
substance 1,2-dihydroxybenzene C6 H4 (OH)2 (pyrocatechol) [120-80-9] 1,3-dihydroxybenzene C6 H4 (OH)2 (resorcinol) [108-46-3] 1,4-dihydroxybenzene C6 H4 (OH)2 (hydroquinone) [123-31-9] methyl hydroperoxide CH3 OOH (methylperoxide) [3031-73-0] ethyl hydroperoxide C2 H5 OOH (ethylperoxide) hydroxymethyl hydroperoxide HOCH2 OOH (HMHP,HMP) [15932-89-5] bis(hydroxymethyl)peroxide HOCH2 OOCH2 OH (BHMP) [17088-73-2] methylperoxy radical CH3 OO peroxyacetyl radical CH3 C(O)O2 [36709-10-1]
kH [M/atm] 4.6103
[K]
reference Mackay et al. [1995]
type V
note
8.3106
6300
USEPA [1982]
2.6107 1.7107 2.5107
Meylan and Howard [1991] Meylan and Howard [1991] Mackay et al. [1995]
X X V
58 58
peroxides (ROOH) and peroxy radicals (ROO) (C, H, and O only)

3.0102 3.1102 5300 5200 Lind and Kok [1994] OSullivan et al. [1996] M M 9
3.4102
6000
OSullivan et al. [1996]
1.7106 1.6106 4.8105 >1.0107 4.5105
9700 10000 1500
OSullivan et al. [1996] Staelbach and Kok [1993] Zhou and Lee [1992] Staelbach and Kok [1993] Zhou and Lee [1992]
M M M M M
8400
6.0 2.0103 < 0.1
5600 6600
Jacob [1986] Lelieveld and Crutzen [1991] Villalta et al. [1996]
E E M
59 60
44

d ln kH d(1/T )
substance
kH [M/atm] see note 6.0103 7.0103 see note 6.3103 3.0103 1.4104 3.1103 3.0103 3.2103 1.5101 1.5101 1.3101 1.1101 1.7101 1.3101 1.5101 9.9 1.7101 1.7 1.4101 1.3101 1.3101 1.3101 2.8 5.3 9.6 8.7 5.5 6.4 6.8 4.4 4.9 4.7 1.9 3.3 3.7 2.3 2.1 1.9 2.1102 1.0 1.3 7.0101 6.1101
[K]
reference
type
note
aldehydes (RCHO) (C, H, and O only)

methanal HCHO (formaldehyde) [50-50-0] Ledbury and Blair Ganey and Senum Chameides Dong and Dasgupta Seinfeld Betterton and Homann Warneck Zhou and Mopper Mller and Mauersberger o Staudinger and Roberts Buttery et al. Ganey and Senum Snider and Dawson Betterton and Homann Zhou and Mopper Benkelberg et al. Pierotti et al. Yaws and Yang USEPA Janini and Quaddora Staudinger and Roberts Buttery et al. Snider and Dawson Zhou and Mopper Janini and Quaddora Schaer and Daubert Zhou and Mopper Buttery et al. Janini and Quaddora [1925] [1984] [1984] [1986] [1986] [1988] [1988] [1990] [1992] [1996] [1969] [1984] [1985] [1988] [1990] [1995] [1957] [1992] [1982] [1986] [1996] [1969] [1985] [1990] [1986] [1969] [1990] [1969] [1986] M X T M ? M C M c L M X M M M M X ? X X L M C M X X M M X M M ? M M ? M M ? M M ? M M ? M 61 48 62 13 63 64
6400
7200 6500 7200 6800
ethanal CH3 CHO (acetaldehyde) [75-07-0]
48 63 64 65 39 3 3
5800 6300 5000 5700
4700 4500 5600
propanal C2 H5 CHO (propionaldehyde) [123-38-6] butanal C3 H7 CHO (butyraldehyde) [123-72-8] pentanal C4 H9 CHO (valeraldehyde) [110-62-3] hexanal C5 H11 CHO heptanal C6 H13 CHO octanal C7 H15 CHO nonanal C8 H17 CHO decanal C9 H19 CHO
5700 2400 5600 6200 4000 6300
64 3 3 64 3 64 39, 49 64 39, 49 64 39, 49 64 39, 49 64 39, 49 64
Zhou and Mopper [1990] Buttery et al. [1969] Yaws and Yang [1992] Zhou and Mopper Buttery et al. Yaws and Yang Zhou and Mopper Buttery et al. Yaws and Yang Zhou and Mopper Buttery et al. Yaws and Yang Zhou and Mopper Buttery et al. Yaws and Yang Zhou and Mopper [1990] [1969] [1992] [1990] [1969] [1992] [1990] [1969] [1992] [1990] [1969] [1992] [1990]
6500
7500
7400
6700
8700

d ln kH d(1/T )
45
substance propenal CH2 CHCHO (acrolein) [107-02-8] 2-methylpropenal C4 H6 O (methacrolein) [78-85-3] trans-2-butenal CH3 CHCHCHO (crotonaldehyde) trans-2-hexenal C3 H7 CHCHCHO trans-trans-2,4-hexadienal CH3 CHCHCHCHCHO trans-2-octenal C5 H11 CHCHCHO benzaldehyde C6 H5 CHO [100-52-7]
kH [M/atm] 8.2 7.4 1.0101 8.2 4.3 6.5
[K] 5100 3800 5300
reference Ganey and Senum Snider and Dawson USEPA Meylan and Howard Allen et al. Iraci et al. [1984] [1985] [1982] [1991] [1998] [1998]
type X M X X E M
note 48 3 3
5.2101 5.1101 5.1101 6.0101 2.0101
3600
Buttery et al. Ganey and Senum Meylan and Howard USEPA Buttery et al.
[1971] [1984] [1991] [1982] [1971]
M X X X M
48 3 3
1.0102
Buttery et al. [1971]
1.3101 see note 3.6101 3.6101 3.7101 4.2101 3.9101 3.5101 4.0105
Buttery et al. [1971] see note Hine and Mookerjee Ganey and Senum Betterton and Homann Zhou and Mopper Staudinger and Roberts Allen et al. Ganey and Senum [1975] [1984] [1988] [1990] [1996] [1998] [1984]
M ? V X M M L E X
66
5100 4600 4800 7000
48 63 64
3-hydroxybenzaldehyde C6 H4 (OH)CHO (3-formylphenol) 4-hydroxybenzaldehyde C6 H4 (OH)CHO (4-formylphenol) generic aldehyde RCHO ethanedial OHCCHO (glyoxal)
48
1.9106
8600
54
4.2103
Graedel and Goldberg [1983]
>3.0105 3.6105
Betterton and Homann [1988] Zhou and Mopper [1990]
M M
63
46

d ln kH d(1/T )
substance
kH [M/atm] 3.0101 2.8101 3.1 2.5101 3.0101 2.6101 3.5101 3.2101 2.7101 2.5101 2.5101 2.7101 2.3101 2.2101 3.0 3.0101 7.1 1.8101 2.1101 7.7 2.0101 4.1. . . 7.7 1.8101 1.9101 1.7101 1.0101 2.0101 6.9 7.2 1.6101 1.2101 9.2 2.0101
[K]
reference
type
note
ketones (RCOR) (C, H, and O only)

propanone CH3 COCH3 (acetone) [67-64-1] Butler and Ramchandani Burnett Hine and Weimar Buttery et al. Ganey and Senum Snider and Dawson Zhou and Mopper Betterton Benkelberg et al. Vitenberg et al. Vitenberg et al. Ho et al. Yaws and Yang Schaer and Daubert Janini and Quaddora Staudinger and Roberts Hine and Weimar Snider and Dawson Buttery et al. Ashworth et al. Zhou and Mopper Howe et al. Vitenberg et al. Rohrschneider Vitenberg et al. Friant and Suet Staudinger and Roberts Ashworth et al. Janini and Quaddora Buttery et al. Meylan and Howard Janini and Quaddora Janini and Quaddora [1935] [1963] [1965] [1969] [1984] [1985] [1990] [1991] [1995] [1975] [1974] [1993] [1992] [1969] [1986] [1996] [1965] [1985] [1969] [1988] [1990] [1987] [1975] [1973] [1974] [1979] [1996] [1988] [1986] [1969] [1991] [1986] [1986] R M R M X M M M M M X M ? X X L R M M X M X M M X M L X X M X X X
48 64
4800 3800 5800 5300
67 39 3 3
5000 3300 4600 5700
2-butanone C2 H5 COCH3 (methyl ethyl ketone, MEK) [78-93-3]
5000
68 64 11
67 49 3 3 3 3 3
5000 -5200 5800
2-pentanone C3 H7 COCH3 [107-87-9] 3-pentanone C2 H5 COC2 H5 2-heptanone C5 H11 COCH3 [110-43-0]
4600 9200
7.0 3.5101 6.3
4500
Buttery et al. [1969] Janini and Quaddora [1986] Meylan and Howard [1991]
M X X
3 3

d ln kH d(1/T )
47
substance 2-octanone C6 H13 COCH3 2-nonanone C7 H15 COCH3 2-undecanone C9 H19 COCH3 4-methyl-2-pentanone (CH3 )2 CHCH2 COCH3 (methyl isobutyl ketone, MIBK) [108-10-1] 3-buten-2-one C4 H6 O (methyl vinyl ketone, MVK) [78-94-4] 1-phenylethanone C6 H5 COCH3 (acetophenone) [98-86-2] 3,5,5-trimethyl-2-cyclohexen-1-one C9 H14 O (isophorone) [78-59-1] 2,3-butanedione CH3 COCOCH3 (biacetyl, dimethylglycol)
kH [M/atm] 5.4
[K]
reference Buttery et al. [1969]
type M
note
2.7
1.6
2.6. . . 5.2 2.2
170
Howe et al. [1987] Ashworth et al. [1988]
X X
11 3
2.1101 4.4101 4.1101 9.4101 1.1102 9.8101 1.7102
7800
Allen et al. [1998] Betterton [1991] Iraci et al. [1998] Hine and Mookerjee [1975] Betterton [1991] Allen et al. [1998] USEPA [1982]
E ? M V M E X 3
6000 12000 3900
1.9102 5.7101 7.4101
5700
Ganey and Senum [1984] Snider and Dawson [1985] Betterton [1991]
X M M
48
48

d ln kH d(1/T )
substance
kH [M/atm] 6.0103 3.7103 3.7103 5.6103 3.510 3.7103 1.3104 7.6103 5.2103 5.5103 5.4103 8.9103 5.2103 9.0102 5.4103 3.4103 3.3103 1.0104 8.8103 8.8103 9.3103 5.5103 5.2103 8.6103 4.1103 5.2103 8.3102 5.5103 9.8102 2.3103 2.2103 6.2103 5.7103 1.9103 1.9103 4.7103 5.7103 1.1103 2.2103 2.2103
3
[K]
reference
type
note
carboxylic acids (RCOOH) and peroxy carboxylic acids (RCOOOH) (C, H, and O only)
methanoic acid HCOOH (formic acid) [64-18-6] 5700 5700 5700 5700 5700 Ganey and Senum Chameides Jacob Keene and Galloway Winiwarter et al. Pandis and Seinfeld Lelieveld and Crutzen Servant et al. Johnson Keene et al. Khan et al. Keene et al. Johnson et al. Johnson et al. Yaws and Yang Staudinger and Roberts Butler and Ramchandani Hine and Mookerjee Ganey and Senum Keene and Galloway Winiwarter et al. Jacob et al. Servant et al. Khan et al. Keene et al. Keene et al. Johnson et al. Johnson et al. Yaws and Yang Staudinger and Roberts USEPA Butler and Ramchandani Hine and Mookerjee Servant et al. Khan et al. Butler and Ramchandani Hine and Mookerjee Khan et al. [1984] [1984] [1986] [1986] [1988] [1989] [1991] [1991] [1990] [1995] [1995] [1995] [1996] [1996] [1992] [1996] [1935] [1975] [1984] [1986] [1988] [1989] [1991] [1995] [1995] [1995] [1996] [1996] [1992] [1996] [1982] [1935] [1975] [1991] [1995] [1935] [1975] [1995] X T C T T C C M X C M C M C ? ? c ? X T T T M M C C M C ? ? X M ? M M M ? M M M M ? 48
69 11
6100
5700
39 70
ethanoic acid CH3 COOH (acetic acid) [64-19-7]
48
6400 6400
69
6300
6300 4900
39 70 3
propanoic acid C2 H5 COOH (propionic acid) [79-09-4] butanoic acid C3 H7 COOH (butyric acid) [107-92-6] 2-methyl propanoic acid (CH3 )2 CHCOOH pentanoic acid C4 H9 COOH [109-52-4]
69
Servant et al. [1991] Khan et al. [1995] 6583 6900 Khan et al. [1995] Staudinger and Roberts [1996]
69
70

d ln kH d(1/T )
49
substance 3-methyl butanoic acid (CH3 )2 CHCH2 COOH 2,2-dimethyl propanoic acid (CH3 )3 CCOOH hexanoic acid C5 H11 COOH [142-62-1] propenoic acid C3 H4 O2 (acrylic acid) [79-10-7] 2-Methyl-2-propenoic acid C4 H6 O2 (methacrylic acid) [79-41-4] benzoic acid C6 H5 COOH ethanedioic acid HOOCCOOH (oxalic acid) propanedioic acid HOOCCH2 COOH (malonic acid) butanedioic acid HOOC(CH2 )2 COOH (succinic acid) pentanedioic acid HOOC(CH2 )3 COOH (glutaric acid) hexanedioic acid HOOC(CH2 )4 COOH (adipic acid) cis-butenedioic acid HOOC(CH)2 COOH (maleic acid) ethanoic peroxyacid CH3 COOOH (peroxyacetic acid)
kH [M/atm] 1.2103
[K]
reference Khan et al. [1995]
type M
note
3.5102
Khan et al. [1995]
1.4103 1.2103 2.4103
6304 5900
Khan et al. [1995] Staudinger and Roberts [1996] Yaws and Yang [1992]
M ? ?
70 39
2.6103
Khan et al. [1992]
2.4104 1.4104 7.0106 5.0108
6500
Yaws and Yang [1992] USEPA [1982] Ganey and Senum [1984] Saxena and Hildemann [1996]
? X X E
39 3 48 51
4.0108
51
3.0108
51
2.0108
51
2.0108 1.8107
11000
Saxena and Hildemann [1996] USEPA [1982]
E X
51 3
1.0109
51
6.7102 8.4102
5900 5300
Lind and Kok [1994] OSullivan et al. [1996]
M M
50

d ln kH d(1/T )
substance
kH [M/atm] 4.5 4.5 4.1 4.1 1.1101 7.8 8.7 6.2 5.8
[K]
reference
type
note
esters (RCOOR) (C, H, and O only)

methyl methanoate HCOOCH3 (methyl formate) methyl ethanoate CH3 COOCH3 (methyl acetate) methyl propanoate C2 H5 COOCH3 (methyl propionate) methyl butanoate C3 H7 COOCH3 (methyl butyrate) methyl pentanoate C4 H9 COOCH3 methyl hexanoate C5 H11 COOCH3 methyl octanoate C6 H13 COOCH3 methyl decanoate C11 H22 O2 (methyl caprate) [110-42-9] methyl dodecanoate C13 H26 O2 (methyl laurate) [111-82-0] methyl tetradecanoate C15 H30 O2 (methyl myristate) [124-10-7] methyl hexadecanoate C17 H34 O2 (methyl palmitate) [112-39-0] methyl octadecanoate C19 H38 O2 (methyl stearate) [112-61-8] Hine and Mookerjee Betterton Ho et al. Hartkopf and Karger Butler and Ramchandani Kieckbusch and King Buttery et al. [1975] [1992] [1993] [1973] [1935] [1979] [1969] ? ? M M M M M V M 71 71
3800 5000
Hine and Mookerjee [1975] Buttery et al. [1969]
4.8
3.1
2.7
1.3
1.4
Krop et al. [1997]
8.4101
Krop et al. [1997]
5.1101
Krop et al. [1997]
3.0101
Krop et al. [1997]
1.7101
Krop et al. [1997]

d ln kH d(1/T )
51
substance methyl arachidate methyl behenate (Z,Z,Z)-9,12,15-octadecatrienoic acid methyl ester C19 H32 O2 (methyl linolenate) [301-00-8] (Z,Z)-9,12-octadecadienoic acid methyl ester C19 H34 O2 (methyl linolate) [112-63-0] (Z)-9-octadecenoic acid methyl ester C19 H36 O2 (methyl oleate) [112-62-9] (Z)-13-docosenoic acid methyl ester C23 H44 O2 (methyl erucate) [1120-34-9] methyl benzoate C6 H5 COOCH3 ethyl methanoate HCOOC2 H5 (ethyl formate) ethyl ethanoate CH3 COOC2 H5 (ethyl acetate)
kH [M/atm] 1.0101 6.0102 2.8101
[K]
reference Krop et al. [1997] Krop et al. [1997] Krop et al. [1997]
type V V V
note
6.3
Krop et al. [1997]
1.3
Krop et al. [1997]
5.3101
Krop et al. [1997]
5.6101
3.6 1.4101 2.0101 7.6 5.9 9.0 4.7 6.5 4.6
4300
Hine and Mookerjee [1975] Ho et al. [1993] Hartkopf and Karger [1973] Butler and Ramchandani Kieckbusch and King Ho et al. Janini and Quaddora Meylan and Howard Hine and Mookerjee [1935] [1979] [1993] [1986] [1991] [1975]
V ? M M M ? X X V
13
5300 5700
13 3 3
ethyl propanoate C2 H5 COOC2 H5 (ethyl propionate) ethyl butanoate C3 H7 COOC2 H5 (ethyl butyrate) ethyl pentanoate C4 H9 COOC2 H5
2.8
2.9
52

d ln kH d(1/T )
substance ethyl heptanoate C6 H13 COOC2 H5 ethyl dodecanoate C14 H28 O2 (ethyl laurate) [106-33-2] propyl methanoate HCOOC3 H7 (propyl formate) propyl ethanoate CH3 COOC3 H7 (propyl acetate)
kH [M/atm] 2.0
[K]
reference Hine and Mookerjee [1975]
type V
note
7.8101
Krop et al. [1997]
2.7
propyl propanoate C2 H5 COOC3 H7 (propyl propionate) propyl butanoate C3 H7 COOC3 H7 (propyl butyrate) propyl dodecanoate C15 H30 O2 (propyl laurate) [3681-78-5] isopropyl methanoate HCOOC3 H7 (isopropyl formate) isopropyl ethanoate CH3 COOC3 H7 (isopropyl acetate) isopropyl propanoate C2 H5 COOC3 H7 (isopropyl propionate) butyl ethanoate CH3 COOC4 H9 (butyl acetate)
5.0 5.0 4.6 4.4 4.5 2.6
5500 6000
Butler and Ramchandani Hine and Mookerjee Kieckbusch and King Janini and Quaddora Meylan and Howard Hine and Mookerjee
[1935] [1975] [1979] [1986] [1991] [1975]
V V M X X V
3 3
1.9
7.8101
Krop et al. [1997]
1.2
3.6 2.9
5500
Hine and Mookerjee [1975] Janini and Quaddora [1986]
V X
1.7
butyl dodecanoate C16 H32 O2 (butyl laurate) [106-18-3]
3.0 3.6 3.5 3.5 2.1 7.2101
6000 7500 3200
Hine and Mookerjee Kieckbusch and King Meylan and Howard Janini and Quaddora USEPA Krop et al.
[1975] [1979] [1991] [1986] [1982] [1997]
V M X X X V
3 3 3

d ln kH d(1/T )
53
substance 2-methylpropyl methanoate HCOOC4 H9 (isobutyl formate) 2-methylpropyl ethanoate CH3 COOC4 H9 (isobutyl acetate) [110-19-0] pentyl ethanoate CH3 COOC5 H11 (amyyl acetate) pentyl propanoate C2 H5 COOC5 H11 (amyyl propionate) isopentyl methanoate HCOOC5 H11 (isoamyyl formate) isopentyl ethanoate CH3 COOC5 H11 (isoamyyl acetate) hexyl ethanoate CH3 COOC6 H13 (hexyl acetate) 2-ethylhexyl dodecanoate (2-ethylhexyl laurate) ethenyl ethanoate CH3 COOCHCH2 (vinyl acetate) dimethyl phthalate C10 H10 O4 [131-11-3] diethyl phthalate C12 H14 O4 [84-66-2]
kH [M/atm] 1.7
[K]
type V
note
2.2
2.6 2.8
6500
Hine and Mookerjee [1975] Kieckbusch and King [1979]
V M
1.2
1.5
1.7 2.4
5000
Hine and Mookerjee [1975] USEPA [1982]
V X
1.9
3.1101
Krop et al. [1997]
1.7
2600
USEPA [1982]
3.0103
5700
USEPA [1982]
1.2103
5600
USEPA [1982]
54

d ln kH d(1/T )
substance
kH [M/atm] 9.9101 1.0 9.0101
[K]
reference
type
note
ethers (ROR) (C, H, and O only)

dimethyl ether CH3 OCH3 ethyl methyl ether C2 H5 OCH3 diethyl ether C2 H5 OC2 H5 Hine and Weimar [1965] Hine and Mookerjee [1975] Saxena and Hildemann [1996] R V E 51
methyl propyl ether CH3 OC3 H7 methyl 2-propyl ether CH3 OC3 H7 methyl tert-butyl ether CH3 OC(CH3 )3 ethyl propyl ether C2 H5 OC3 H7 dipropyl ether C3 H7 OC3 H7
1.1 1.1 8.0101 1.2 7.8101 7.9101 6.8101
5300
Butler and Ramchandani Hine and Weimar Signer et al. Nielsen et al. Ho et al. Lamarche and Droste Hine and Mookerjee
[1935] [1965] [1969] [1994] [1993] [1989] [1975]
V V M M ? X V
13 3
1.2
1.7 1.6 8.7101 8.7101 2.8101 2.9101 1.9101 2.3101 4.5101 9.9102 1.0101 4.9101 5.8101 1.7101
7700
Guthrie [1973] Robbins et al. [1993] Butler and Ramchandani [1935] Hine and Mookerjee [1975] Butler and Ramchandani Hine and Mookerjee Ho et al. Hartkopf and Karger Yaws and Yang Hine and Weimar Hine and Mookerjee Nielsen et al. Yaws and Yang Pierotti et al. [1935] [1975] [1993] [1973] [1992] [1965] [1975] [1994] [1992] [1957]
V M V V V V ? M ? V V M ? X
13 39
8900
diisopropyl ether C3 H7 OC3 H7
dibutyl ether C4 H9 OC4 H9 methoxybenzene C6 H5 OCH3 (anisole) [100-66-3]
39 53
2.4101 2.4101
Hine and Weimar [1965] Hine and Mookerjee [1975]
R V

d ln kH d(1/T )
55
substance
kH [M/atm] 5.3
[K] 3500
reference
type
note
miscellaneous, e.g. multiple functional groups (C, H, and O only)

1,2-epoxypropane C3 H6 O (propyleneoxide) [75-56-9] 2-methoxyethanol C3 H8 O2 [109-86-4] dimethoxymethane CH3 OCH2 OCH3 trimethoxymethane HC(OCH3 )3 1,1-diethoxyethane (C2 H5 O)2 CHCH3 1,2-diethoxyethane C2 H5 OC2 H4 OC2 H5 1,1,1-trimethoxyethane CH3 C(OCH3 )3 3-oxapentane-1,5-diol HO(CH2 )2 O(CH2 )2 OH (diethylene glycol) [111-46-6] 3,6-dioxaoctane-1,8-diol HO(CH2 CH2 O)3 H (triethylene glycol) [112-27-6] propanonal CH3 COCHO (methylglyoxal, pyruvaldehyde) 2-hydroxyethanal HOCH2 CHO (hydroxyacetaldehyde) oxoethanoic acid OHCCOOH (glyoxylic acid) [298-12-4] 2-oxopropanoic acid CH3 COCOOH (pyruvic acid) USEPA [1982] X 3
2.2102
-870
Ashworth et al. [1988]
5.8
Pierotti et al. [1957]
53
7.0101
Guthrie [1973]
1.0101
1.6101
6.5101
Guthrie [1973]
2.0109
51
9.01011
51
3.7103 3.2104
7500
Betterton and Homann [1988] Zhou and Mopper [1990]
M M
63
4.1104
4600
Betterton and Homann [1988]
63
9.0103
51
3.1105 3.0105 3.1105
5100 5200
Khan et al. [1995] Staudinger and Roberts [1996] Khan et al. [1992]
M ? M
70
56

d ln kH d(1/T )
substance 3-oxopropanoic acid OHCCH2 COOH 4-oxobutanoic acid OHC(CH2 )2 COOH 5-oxopentanoic acid OHC(CH2 )3 COOH oxacyclopentadiene C4 H4 O (furan, furfuran) [110-00-9] tetrahydrofurane C4 H8 O (THF) 2-methyltetrahydrofurane CH3 C4 H7 O 2,5-dimethyltetrahydrofurane (CH3 )2 C4 H6 O tetrahydropyran C5 H10 O (THP) 1,3-dioxolane C3 H6 O2 1,4-dioxane C4 H8 O2 (dioxane)
kH [M/atm] 7.0103
[K]
type E
note 51
5.0103
51
4.0103
51
1.8101
39
1.4101 2.2101
5700
Cabani et al. [1971a] Signer et al. [1969]
M M
1.1101
6200
Cabani et al. [1971a]
5.7
6800
8.0
5900
4.0101
4800
1,3-dimethoxy-2-hydroxybenzene C8 H10 O3 (2,6-dimethoxyphenol) [91-10-1] 1-hydroxy-2-methoxybenzene C7 H8 O2 (guaicol) [90-05-1] 4-methyl-2-methoxyphenol hydroxybutanedioic acid HOOCCH2 CHOHCOOH (malic acid)
2.1102 2.2102 1.4102 2.0102 1.4102 4.9103
5800 6700
Cabani et al. [1971a] Rohrschneider [1973] Friant and Suet [1979] Cabani et al. [1971a] Yaws and Yang [1992] Sagebiel et al. [1992]
X M M M ? X
11 49 39 3
9.1102
7500
Sagebiel et al. [1992]
7.2102 2.01013
7400
Sagebiel et al. [1992] Saxena and Hildemann [1996]
X E
3 51

d ln kH d(1/T )
57
substance 2-hydroxy-1,2,3-propanetricarboxylic acid C6 H8 O7 (citric acid) [77-92-9] 2-oxopentanedioic acid HOOC(CH2 )2 COCOOH (-keto glutaric acid) [328-50-7] 2-hydroxypropanoic acid CH3 CHOHCOOH (lactic acid) 2,3-dihydroxybutanedioic acid HOOCCHOHCHOHCOOH (tartaric acid) [87-69-4] 2,3-dihydroxypropanal C3 H6 O3 (glyceraldehyde) carbon monoxide CO
kH [M/atm] 3.01018
[K]
type E
note 51
1.0109
51
7.0107
51
1.01018
51
2.01010
51
carbon dioxide CO2
7.4103 8.2104 9.5104 9.5104 9.9104 8.7104 3.4102 3.4102 3.4102 3.5102 3.4102 3.1102 3.4102 3.4102 3.4102 3.4102 3.5102 3.4102 3.5102 4.5102 3.2102 3.6102
1300 1600 1300 2400 2400 2400 2400 2400 2400 2400 2400 2400 2300 2600 2400 2400 2200
Meadows and Spedding Liss and Slater Wilhelm et al. Dean Lide and Frederikse Yaws and Yang Morgan and Maass Sillen and Martell Wilhelm et al. Edwards et al. Durham et al. Chameides Homann and Jacob Jacob Pandis and Seinfeld Lelieveld and Crutzen Carroll et al. Dean Lide and Frederikse Yaws and Yang Kavanaugh and Trussell Zheng et al.
[1974] [1974] [1977] [1992] [1995] [1992] [1931] [1964] [1977] [1978] [1981] [1984] [1984] [1986] [1989] [1991] [1991] [1992] [1995] [1992] [1980] [1997]
M c L ? L ? M X L L C T ? C C C L ? L ? X M
2 39 1
2 39 3
58

d ln kH d(1/T )
substance
kH [M/atm] 3.6101 9.0101 1.4102 1.0102 3.5101 8.1101 8.0101 6.7101 6.6101 5.8101 4.1101
[K] 2600
reference
type
note
compounds with nitrogen: amines (RNH2 ) (C, H, O, and N only)

methylamine CH3 NH2 ethylamine C2 H5 NH2 [75-04-7] propylamine C3 H7 NH2 [107-10-8] butylamine C4 H9 NH2 [109-73-9] pentylamine C5 H11 NH2 hexylamine C6 H13 NH2 dimethylamine (CH3 )2 NH [124-40-3] diethylamine (C2 H5 )2 NH [109-89-7] dipropylamine (C3 H7 )2 NH dibutylamine (C4 H9 )2 NH trimethylamine (CH3 )3 N [75-50-3] triethylamine (C2 H5 )3 N ethylenediamine H2 NCH2 CH2 NH2 hexamethyleneimine (CH2 )6 NH ethanolamine HOC2 H4 NH2 [141-43-5] Wilhelm et al. Christie and Crisp Bone et al. Butler and Ramchandani Wilhelm et al. Christie and Crisp Butler and Ramchandani Christie and Crisp [1977] [1967] [1983] [1935] [1977] [1967] [1935] [1967] L M ? M L M M M M M M
12
3600
Butler and Ramchandani [1935] Christie and Crisp [1967] Christie and Crisp [1967]
3.7101
Christie and Crisp [1967]
3.1101 5.7101 3.9101 1.5101 1.3102 3.9101 1.9101 see note 1.1101
4000
Wilhelm et al. [1977] Christie and Crisp [1967] Christie and Crisp [1967] Yaws and Yang [1992] USEPA [1982] Meylan and Howard [1991] Christie and Crisp [1967] see note Christie and Crisp [1967]
L M M ? X X M ? M
10000
39 3 3 66
9.6
6.7
5.9105
Westheimer and Ingraham [1956]
1.6102
8200
Cabani et al. [1971b]
6.2106
Bone et al. [1983]

d ln kH d(1/T )
59
substance
kH [M/atm] 1.01013 1.01013 4.01012 1.01013 9.0107 1.01017 6.0107 2.0107
[K]
reference
type
note
compounds with nitrogen: amino acids (RCHNH2 COOH)

glutamic acid asparagine serine glutamine glycine arginine alanine leucine Saxena and Hildemann [1996] Saxena and Hildemann [1996] Saxena and Hildemann [1996] Saxena and Hildemann [1996] Saxena and Hildemann [1996] Saxena and Hildemann [1996] Saxena and Hildemann [1996] Saxena and Hildemann [1996] E E E E E E E E 51 51 51 51 51 51 51 51
compounds with nitrogen: heterocycles (C, H, O, and N only)

pyrrolidine C4 H8 NH N-methyl-pyrrolidine C4 H8 NCH3 piperidine C5 H10 NH N-methyl-piperidine C5 H10 NCH3 pyridine C5 H5 N [110-86-1] 2-methylpyridine C5 H4 NCH3 (2-picoline, -picoline) [109-06-8] 3-methylpyridine C5 H4 NCH3 (3-picoline, -picoline) [108-99-6] 4-methylpyridine C5 H4 NCH3 2-ethylpyridine C5 H4 NC2 H5 4.2102 7600 Cabani et al. [1971b] M
3.3101
7600
2.2102
7900
2.9101
7900
1.1102 9.0101 3.4101 1.0102
5900
Andon et al. [1954] Yaws and Yang [1992] Yaws and Yang [1992] Andon et al. [1954]
M ? ? M
39 39
6400
5.5101 1.3102
6400
Yaws and Yang [1992] Andon et al. [1954]
? M
39
1.7102
6600
Andon et al. [1954]
6.1101
6700
Andon et al. [1954]
60

d ln kH d(1/T )
substance 3-ethylpyridine C5 H4 NC2 H5 4-ethylpyridine C5 H4 NC2 H5 2,3-dimethylpyridine C5 H3 N(CH3 )2 [583-61-9] 2,4-dimethylpyridine C5 H3 N(CH3 )2 2,5-dimethylpyridine C5 H3 N(CH3 )2 2,6-dimethylpyridine C5 H3 N(CH3 )2 3,4-dimethylpyridine C5 H3 N(CH3 )2 3,5-dimethylpyridine C5 H3 N(CH3 )2 2-methylpyrazine C4 N2 H3 CH3 2-ethylpyrazine C4 N2 H3 (C2 H5 ) 2-isobutylpyrazine C4 N2 H3 C4 H9 2-ethyl-3-methoxypyrazine C4 N2 H3 (C2 H5 )OCH3 2-isobutyl-3-methoxypyrazine C4 N2 H3 (C4 H9 )OCH3 benzo[b]pyridine C9 H7 N (quinoline) [91-22-5]
kH [M/atm] 9.6101
[K] 6500
reference Andon et al. [1954]
type M
note
1.2102
6300
Andon et al. [1954]
1.4102
700
Andon et al. [1954]
1.5102
7100
Andon et al. [1954]
1.2102
7100
Andon et al. [1954]
9.5101
7300
Andon et al. [1954]
2.7102
6900
Andon et al. [1954]
1.4102
6800
Andon et al. [1954]
4.5102
4.0102
2.0102
6.8101
2.0101 1.3101 3.7103 5400
Buttery et al. [1971] Karl and Lindinger [1997] USEPA [1982]
M M X
43 3

d ln kH d(1/T )
61
substance
kH [M/atm] 2.0
[K] 4700
reference
type
note
compounds with nitrogen: nitrates (RONO2 ) (C, H, O, and N only)

methyl nitrate CH3 ONO2 ethyl nitrate C2 H5 ONO2 1-propyl nitrate C3 H7 ONO2 [627-13-4] 2-propyl nitrate C3 H7 ONO2 1-butyl nitrate C4 H9 ONO2 [928-45-0] 2-butyl nitrate C4 H9 ONO2 (isobutyl nitrate) [543-29-3] tert-butyl nitrate C4 H9 ONO2 1-pentyl nitrate C5 H11 ONO2 (amyl nitrate) [1002-16-0] 2-pentyl nitrate C5 H11 ONO2 [21981-48-6] 3-pentyl nitrate C5 H13 ONO2 3-methyl-1-butanol nitrate C5 H11 ONO2 (isoamyl nitrate) [543-87-3] 1-hexyl nitrate C6 H13 ONO2 Kames and Schurath [1992] M
1.6
5400
Kames and Schurath [1992]
1.1 1.1 7.9101 7.9101 6.2101 8.3101 1.0 1.0 6.5101 8.6101 6.5101 6.5101 4.4101 6.5101 7.0101
5500
5400
6000 5800
5600 5400
5200
Kames and Schurath Hau et al. Hau et al. Kames and Schurath Hau et al. Hau et al. Luke et al. Kames and Schurath Hau et al. Hau et al. Luke et al. Kames and Schurath Hau et al. Hau et al. Kames and Schurath
[1992] [1998] [1998] [1992] [1998] [1998] [1989] [1992] [1998] [1998] [1989] [1992] [1998] [1998] [1992]
M V M M M V M M M V M M M V M
1.2 4.1101 6.0101 3.7101 3.4101 4.9101 3.7101 4.9101 4.5101 6300
Kames and Schurath [1992] Hau et al. [1998] Hau et al. [1998] Kames and Schurath Hau et al. Hau et al. Hau et al. Hau et al. [1992] [1998] [1998] [1998] [1998]
M V M M M V M V M
Hau et al. [1998]
3.7101 6.7101
Hau et al. [1998] Hau et al. [1998]
V M
62

d ln kH d(1/T )
substance 2-nitrooxy ethanol HOC2 H4 ONO2 nitrooxy propanol C3 H7 O4 N (1,2 and 2,1) 1-nitrooxy-2-propanol C3 H7 O4 N 2-nitrooxy-1-propanol C3 H7 O4 N 2-nitrooxy-3-butanol C4 H9 O4 N 1-nitrooxy-2-butanol C4 H9 O4 N 2-nitrooxy-1-butanol C4 H9 O4 N nitrooxyacetone CH3 COCH2 ONO2
kH [M/atm] 4.0104 3.9104 7.3103 6.7103
[K] 8600
reference Kames and Schurath [1992] Shepson et al. [1996] Kames and Schurath [1992] Kames and Schurath [1992]
type M M M M
note 8
8, 72 8, 72
1.1104
10000
Shepson et al. [1996]
4.5103
8800
1.0104
9500
5.8103
9200
6.0103
9600
1.0103
Kames and Schurath [1992]

d ln kH d(1/T )
63
substance 1,2-ethanediol dinitrate O3 NCH2 CH2 ONO2 (1,2-ethane dinitrate) [628-96-6] 1,2-propanediol dinitrate C3 H6 (ONO2 )2 (1,2-propane dinitrate) [6423-43-4] 1,2-propanediol dinitrate 1,3-propanediol dinitrate C3 H6 N2 O6 [3457-90-7] 1,2-butanediol dinitrate 1,3-butanediol dinitrate 1,4-butanediol dinitrate 2,3-butanediol dinitrate 1,2-pentanediol dinitrate 1,4-pentanediol dinitrate 1,5-pentanediol dinitrate c-2,4-pentanediol dinitrate t-2,4-pentanediol dinitrate 1,2-hexanediol dinitrate 1,5-hexanediol dinitrate 1,6-hexanediol dinitrate 2,5-hexanediol dinitrate
kH [M/atm] 6.4102 7.9101
[K]
reference Kames and Schurath [1992] Fischer and Ballschmiter [1998b]
type M M
note 8 73
1.8102 3.2101
Kames and Schurath [1992] Fischer and Ballschmiter [1998b]
M M
8 73
1.3102
Fischer and Ballschmiter [1998b]
73
2.1101 5.8101 1.6102 1.2101 1.3101 3.9101 1.2102 2.2101 1.5101 9.7100 2.8101 1.5102 3.2101
Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b]
M M M M M M M M M M M M M
73 73 73 73 73 73 73 73 73 73 73 73 73
64

d ln kH d(1/T )
substance cis-1,2-cyclohexanediol dinitrate trans-1,2-cyclohexanediol dinitrate cis-1,3-cyclohexanediol dinitrate trans-1,3-cyclohexanediol dinitrate 1,7-heptanediol dinitrate trans-1,2-cycloheptanediol dinitrate 1,2-octanediol dinitrate 1,8-octanediol dinitrate 1,2-decanediol dinitrate 1,10-decanediol dinitrate peroxyacetyl nitrate CH3 COOONO2 (PAN)
kH [M/atm] 1.3102 5.2101 3.5102 6.9101 1.2102 8.9101 5.3100 7.9101 2.0100 4.3101 3.6 5.0 2.9 2.8 4.1 see see 2.9 see see
[K]
reference Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Fischer and Ballschmiter [1998b] Ganey and Senum Holdren et al. Pandis and Seinfeld Kames et al. Kames and Schurath Warneck et al. Schurath et al. Kames and Schurath Warneck et al. Schurath et al. [1984] [1984] [1989] [1991] [1995] [1996] [1996] [1995] [1996] [1996]
type M M M M M M M M M M X M C M M ? ? M ? ? M ? ? M ? ? M ? ?
note 73 73 73 73 73 73 73 73 73 73 48 74
5900 6500 note note note note
peroxypropionyl nitrate C2 H5 COOONO2 (PPN) peroxy-n-butyryl nitrate C3 H7 COOONO2 (PnBN) peroxy-2-propenoyl nitrate CH2 C(CH3 )COOONO2 (peroxymethacryloyl nitrate, MPAN) peroxy-isobutyryl nitrate C3 H7 COOONO2 (PiBN)
8 75 76 8 75 76 8 75 76 8 75 76 8 75 76
2.3 see note see note 1.7 see note see note 1.0 see note see note
Kames and Schurath [1995] Warneck et al. [1996] Schurath et al. [1996] Kames and Schurath [1995] Warneck et al. [1996] Schurath et al. [1996] Kames and Schurath [1995] Warneck et al. [1996] Schurath et al. [1996]

d ln kH d(1/T )
65
substance
kH [M/atm] 8.0102
[K] 1400
reference
type
note
compounds with nitrogen: nitriles (RCN) (C, H, O, and N only)

cyanide radical CN hydrocyanic acid HCN ethane nitrile CH3 CN (acetonitrile) [75-05-8] Berdnikov and Bazhin [1970] T 5
propane nitrile C2 H5 CN (propionitrile) [107-12-0] butane nitrile C3 H7 CN (butyronitrile) benzenenitrile C6 H5 CN (benzonitrile) [100-47-0] ethanedinitrile C2 N2 (cyanogen) [460-19-5] 2-propenenitrile C3 H3 N (acrylonitrile) [107-13-1]
9.3 1.2101 7.5 2.9101 2.9101 5.4101 4.9101 4.8101 5.3101 4.9101 2.7101
5000
4100 4000 3500 4100
Hine and Weimar Edwards et al. Ganey and Senum Hine and Weimar Ganey and Senum Hamm et al. Snider and Dawson Arijs and Brasseur Benkelberg et al. Yaws and Yang Butler and Ramchandani
[1965] [1978] [1984] [1965] [1984] [1984] [1985] [1986] [1995] [1992] [1935]
R L X R X M M L M ? M
48 48
39
1.9101
Butler and Ramchandani [1935]
1.8
39, 77
1.9101
39, 8
1.1101 7.3
2800
USEPA [1982] Meylan and Howard [1991]
X X
3 3
66

d ln kH d(1/T )
substance
kH [M/atm] 3.5101 4.5101 3.6 2.1101 2.1101 1.4102 1.2101 1.6101 8.2 1.1101 4.3101 4.1101 4.7101 1.7101 7.8 1.4101 1.4101 1.6101
[K]
reference
type
note
compounds with nitrogen: nitro (RNO2 ) (C, H, O, and N only)

nitromethane CH3 NO2 nitroethane C2 H5 NO2 1-nitropropane C3 H7 NO2 2-nitropropane CH3 CH(NO2 )CH3 nitrobenzene C6 H5 NO2 [98-95-3] 2-nitrotoluene C6 H4 (NO2 )CH3 [88-72-2] 3-nitrotoluene C6 H4 (NO2 )CH3 4-nitrotoluene C6 H4 (NO2 )CH3 1-methyl-2,4-dinitrobenzene C7 H6 N2 O4 (DNT) [121-14-2] Ganey and Senum Rohrschneider Yaws and Yang Hine and Mookerjee Ganey and Senum Friant and Suet Hine and Mookerjee Yaws and Yang [1984] [1973] [1992] [1975] [1984] [1979] [1975] [1992] X M ? V X M V ? V ? V X X V X V X X 48 39 48 49 39, 8
Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee Meylan and Howard USEPA Hine and Mookerjee USEPA [1975] [1991] [1982] [1975] [1982]
39, 8
4500 2900
3 3 3
3200 3100
Hine and Mookerjee [1975] USEPA [1982] USEPA [1982]
3 3
2.1101
2900
USEPA [1982]

d ln kH d(1/T )
67
substance 2-nitrophenol HOC6 H4 (NO2 ) [88-75-5] 3-nitrophenol HOC6 H4 (NO2 ) 4-nitrophenol HOC6 H4 (NO2 ) [100-02-7] 3-methyl-2-nitrophenol C7 H7 NO3 [4920-77-8] 4-methyl-2-nitrophenol C7 H7 NO3 [119-33-5] 5-methyl-2-nitrophenol C7 H7 NO3 [700-38-9] 4-(1-methylpropyl)-2-nitrophenol C10 H13 NO3 [3555-18-8] 4-methoxy-2-nitrophenol C7 H7 NO4 [1568-70-3] 4-hydroxy-3-nitro-benzaldehyde C7 H5 NO4 [3011-34-5] 2,4-dinitrophenol C6 H4 N2 O5 [51-28-5] 2,5-dinitrophenol C6 H4 N2 O5 [329-71-5] 2-methyl-4,6-dinitrophenol C7 H6 N2 O5 (dinitro-o-cresol,DNOC) [534-52-1]
kH [M/atm] 7.0101 7.4101 7.9101 5.0105
[K] 4600
reference USEPA Schwarzenbach et al. Tremp et al. Ganey and Senum [1982] [1988] [1993] [1984]
type X V X X
note 3 8 55,8 48
2.6106 9.9102 3.0104 7.9104 2.5102
9100 6000
Parsons et al. USEPA Schwarzenbach et al. Tremp et al. Schwarzenbach et al.
[1971] [1982] [1988] [1993] [1988]
M X V X V
54 3 8 55,8 8
6.2101
Schwarzenbach et al. [1988]
6.8101
2.4101
2.3101
9.5102
3.5103 1.2104 1.5103
Schwarzenbach et al. [1988] Tremp et al. [1993] Schwarzenbach et al. [1988]
V X V
8 55,8 8
2.3103 4.6103
Schwarzenbach et al. [1988] Tremp et al. [1993]
V X
8 55,8
68

d ln kH d(1/T )
substance
kH [M/atm] 5.9102 5.9102 5.2102 7.2102 8.7102
[K]
reference
type
note
compounds with uorine

uoromethane CH3 F 2200 Hine and Mookerjee Wilhelm et al. Mackay and Shiu Yaws and Yang Yaws and Yang [1975] [1977] [1981] [1992] [1992] V L L ? ?
diuoromethane CH2 F2 triuoromethane CHF3 (R23) tetrauoromethane CF4 (carbontetrauoride) uoroethane C2 H5 F 1,1-diuoroethane C2 H4 F2 (R152a) 1,1,1,2-tetrauoroethane C2 H2 F4 (R134a) hexauoroethane C2 F6 1-uoropropane C3 H7 F 2-uoropropane C3 H7 F octauorocyclobutane C4 F8 1,1-diuoroethene C2 H2 F2 tetrauoroethene C2 F4 hexauoropropene C3 F6
39, 38 39
1.1102 1.3102 1.3102 1.4102 2.0104 2.0104 2.1104 1.9104 4.4102
3200 2200 1500 1800
Hine and Mookerjee Wilhelm et al. Yaws and Yang Zheng et al. Hine and Mookerjee Morrison and Johnstone Wilhelm et al. Yaws and Yang Yaws and Yang
[1975] [1977] [1992] [1997] [1975] [1954] [1977] [1992] [1992]
V L ? M V M L ? ?
39
39 39
4.9102 3.7102 5.4102 1.8102
2600 2700
Hine and Mookerjee [1975] Yaws and Yang [1992] Zheng et al. [1997] Zheng et al. [1997]
V ? M M
39, 78
5.9105
39
6.2102
39, 79
5.9102
39, 38
2.5104
39
2.5103
39
1.6103 1.6103 2.9104
2100
Wilhelm et al. [1977] Yaws and Yang [1992] Wilhelm et al. [1977]
L ? L
39
2400

d ln kH d(1/T )
69
substance carbonyl uoride COF2 formyl uoride FCHO 2,2,2-triuoroethanol CF3 CH2 OH 1,1,1-triuoro-2-propanol CF3 CHOHCH3 2,2,3,3-tetrauoro-1-propanol CHF2 CF2 CH2 OH 2,2,3,3,3-pentauoro-1-propanol CF3 CF2 CH2 OH 1,1,1,3,3,3-hexauoro-2-propanol CF3 CHOHCF3 triuoroacetyluoride CF3 COF 1,1,1-triuoro-2-propanone CF3 COCH3 uoroethanoic acid CH2 FCOOH (uoroacetic acid) [144-49-0] diuoroethanoic acid CHF2 COOH (diuoroacetic acid) [381-73-7] triuoroethanoic acid CF3 COOH (triuoroacetic acid) [76-05-1] generic peroxide with uorine ROOH
kH [M/atm] 2.0101 3.5101 3.0
[K]
reference Kanakidou et al. [1995] Mirabel et al. [1996] Kanakidou et al. [1995]
type C M E
note
5.9101
5900
Rochester and Symonds [1973]
4.5101
6300
1.6102
6700
4.5101
6000
2.4101
6700
3.0 3.0 1.4102 8900
Kanakidou et al. [1995] Mirabel et al. [1996] Betterton [1991]
C M M
8.1104
Bowden et al. [1998b]
3.0104
6900
8.9103
9300
Bowden et al. [1996]
3.0101
Kanakidou et al. [1995]
80
70

d ln kH d(1/T )
substance uorobenzene C6 H5 F
1,2-diuorobenzene C6 H4 F2 (o-diuorobenzene) 1,3-diuorobenzene C6 H4 F2 (m-diuorobenzene) 1,4-diuorobenzene C6 H4 F2 (p-diuorobenzene) (triuoromethyl)-benzene C6 H5 CF3 (,,-triuorotoluene) 5-uoro-2-nitrophenol C6 H4 FNO3 [446-36-6]
kH [M/atm] 1.6101 1.2101 1.6101 1.6101 1.4101
[K]
reference Mackay and Shiu Ho et al. Hartkopf and Karger Yaws and Yang Yaws and Yang [1981] [1993] [1973] [1992] [1992]
type L ? M ? ?
note
13 39 39
4100
1.3102
39
1.3101
39
6.3102 6.2102
L ?
39
5.9102

d ln kH d(1/T )
71
substance
kH [M/atm] 1.3101 1.0101 1.0101 1.1101 1.2101 9.4102 1.1101 1.2101 1.2101 2.9102 1.0101 3.3101 4.4101 3.9101 3.5101 4.7101 4.0101 4.0101 1.2 3.7101 4.1101 4.4101 4.0101 3.1101 3.6101 8.6101 3.1101 3.4101 3.5101 3.8101 3.9101 4.0101
[K]
reference
type
note
aliphatic compounds with chlorine

chloromethane CH3 Cl (methylchloride) Pearson and McConnell [1975] Hine and Mookerjee [1975] Wilhelm et al. [1977] Mackay and Shiu [1981] Gossett [1987] Moore et al. [1995] Dilling [1977] Dilling [1977] Yaws and Yang [1992] USEPA [1982] Kavanaugh and Trussell [1980] Pearson and McConnell [1975] Hine and Mookerjee [1975] Mackay and Shiu [1981] Linco and Gossett [1984] Gossett [1987] Wright et al. [1992b] Dilling [1977] Dilling [1977] Dilling [1977] Ho et al. [1993] Hartkopf and Karger [1973] Yaws and Yang [1992] USEPA [1982] Staudinger and Roberts [1996] Kavanaugh and Trussell [1980] Leighton and Calo [1981] Ashworth et al. [1988] Gossett et al. [1985] Tse et al. [1992] Gossett et al. [1985] Wright et al. [1992a] M V L L M M V V ? X X M V L M M M V V C M M ? X L X X X X X X X 81,8
2800 4200 3000
-630 2900
dichloromethane CH2 Cl2 [75-09-2]
8 39 3 3 81,8
4200 3800 3800
82
4100 3600 4100 4200 3700 4300 4200 3500 4500 3900
39 3 3 3 3 3 3 3 3
72

d ln kH d(1/T )
substance trichloromethane CHCl3 (chloroform) [67-66-3]
kH [M/atm] 3.5101 2.3101 2.7101 2.0101 3.3101 2.8101 3.2101 2.1101 2.4101 2.8101 4.9101 2.6101 2.7101 2.3101 2.5101 9.1101 3.1101 2.5101 2.9101 2.4101 2.5101 2.5101 2.6101 3.0101 1.5101 2.3101 2.3101 2.4101 2.5101 2.5101 2.5101 2.6101
[K]
reference Pearson and McConnell [1975] Hine and Mookerjee [1975] Mackay and Shiu [1981] Hunter-Smith et al. [1983] Nicholson et al. [1984] Nicholson et al. [1984] Nicholson et al. [1984] Nicholson et al. [1984] Linco and Gossett [1984] Gossett [1987] Tancr`de and Yanagisawa [1990] e Wright et al. [1992b] Dewulf et al. [1995] Moore et al. [1995] Dilling [1977] Dilling [1977] Dilling [1977] Ho et al. [1993] Hartkopf and Karger [1973] Yaws and Yang [1992] Barr and Newsham [1987] Kavanaugh and Trussell [1980] Wright et al. [1992a] USEPA [1982] Ervin et al. [1980] Gossett et al. [1985] Ashworth et al. [1988] Lamarche and Droste [1989] Leighton and Calo [1981] Gossett et al. [1985] Staudinger and Roberts [1996] Munz and Roberts [1987]
type M V L M M C C C M M M M M M V V C M M ? X X X X X X X X X X L X
note 81,8
3900
83
4200 4600 7300 3900 4100 3800
82
4800 4100 4600 4000 4400 5600 4200 5000 2200 4100 4300 4500 4300
39 3 3 3 3 3 3 3 3 3 3 3

d ln kH d(1/T )
73
substance tetrachloromethane CCl4 (carbontetrachloride) [56-23-5]
chloroethane C2 H5 Cl [75-00-3]
1,1-dichloroethane CHCl2 CH3 [75-34-3]
kH [M/atm] 3.8102 4.5102 3.5102 5.1102 4.2102 3.3102 3.5102 3.0102 3.8102 3.4102 3.4102 4.7102 3.6102 3.9102 3.4102 3.1102 3.3102 3.3102 3.8102 2.8102 3.2102 3.3102 3.3102 3.4102 3.6102 1.2101 5.1101 8.9102 8.9102 1.4101 6.9102 8.5102 8.1102 1.7101 1.7101 1.8101 1.7101 2.0101 1.7101 1.7101 1.6101 1.7101 1.8101 1.8101 1.8101 1.3101 1.5101 1.6101 1.7101
[K]
reference Liss and Slater [1974] Pearson and McConnell [1975] Hine and Mookerjee [1975] Mackay and Shiu [1981] Hunter-Smith et al. [1983] Gossett [1987] Tancr`de and Yanagisawa [1990] e Wright et al. [1992b] Dewulf et al. [1995] Hansen et al. [1995] Dilling [1977] Dilling [1977] Ho et al. [1993] Hartkopf and Karger [1973] Yaws and Yang [1992] Wright et al. [1992a] USEPA [1982] Kavanaugh and Trussell [1980] Tse et al. [1992] Bissonette et al. [1990] Hansen et al. [1993] Ashworth et al. [1988] Munz and Roberts [1987] Staudinger and Roberts [1996] Leighton and Calo [1981] Hine and Mookerjee [1975] Mackay and Shiu [1981] Gossett [1987] Dilling [1977] Yaws and Yang [1992] USEPA [1982] Staudinger and Roberts [1996] Ashworth et al. [1988] Hine and Mookerjee [1975] Mackay and Shiu [1981] Gossett [1987] Wright et al. [1992b] Dewulf et al. [1995] Dilling [1977] Yaws and Yang [1992] Wright et al. [1992a] Barr and Newsham [1987] USEPA [1982] Tse et al. [1992] Kavanaugh and Trussell [1980] Ervin et al. [1980] Ashworth et al. [1988] Staudinger and Roberts [1996] Lamarche and Droste [1989]
type C M V L M M M M M M V C M M ? X X X X X X X X L X V L M V ? X L X V L M M M V ? X X X X X X X L X
note
81,8
3200 4400 4100 4200 4100 3600
4900 4200 1100 4700 3600 5600 3400 4000 4300 4200 4400
39 3 3 3 3 3 3 3 3 3
3100
750 2900 2600
39, 8 3 3
4100 3600 4000
3600 3800 1700 3300 4400 4900 3100 3600 2100
39 3 3 3 3 3 3 3 3
74

d ln kH d(1/T )
substance 1,2-dichloroethane CH2 ClCH2 Cl [107-06-2]
1,1,1-trichloroethane CH3 CCl3 (methylchloroform, MCF) [71-55-6]
kH [M/atm] 1.1 7.6101 9.2101 8.7101 9.5101 8.2101 1.0 8.4101 8.4101 8.5101 8.3101 8.6101 8.7101 9.1101 6.5101 6.5101 7.0101 7.3101 8.5101 2.9102 6.2102 3.6102 7.7102 5.9102 5.9102 8.7102 6.1102 5.7102 7.1102 6.8102 6.0102 3.4102 4.0102 1.1101 5.4102 1.1101 2.2101 5.9102 5.9102 6.4102 2.7102 5.1102 5.2102 5.8102 5.9102 5.9102 6.0102 6.0102 6.0102
[K]
reference Pearson and McConnell [1975] Hine and Mookerjee [1975] Mackay and Shiu [1981] Wright et al. [1992b] Dewulf et al. [1995] Dilling [1977] Dilling [1977] Ho et al. [1993] Hartkopf and Karger [1973] Yaws and Yang [1992] Tse et al. [1992] Wright et al. [1992a] Barr and Newsham [1987] USEPA [1982] Ashworth et al. [1988] Bissonette et al. [1990] Lamarche and Droste [1989] Staudinger and Roberts [1996] Leighton and Calo [1981] Pearson and McConnell [1975] Hine and Mookerjee [1975] Mackay and Shiu [1981] Hunter-Smith et al. [1983] Linco and Gossett [1984] Gossett [1987] Kolb et al. [1992] Wright et al. [1992b] Robbins et al. [1993] Kanakidou et al. [1995] Dewulf et al. [1995] Hansen et al. [1995] Dilling [1977] Dilling [1977] Dilling [1977] Ho et al. [1993] Kavanaugh and Trussell [1980] USEPA [1982] Wright et al. [1992a] Barr and Newsham [1987] Tse et al. [1992] Ervin et al. [1980] Leighton and Calo [1981] Bissonette et al. [1990] Ashworth et al. [1988] Staudinger and Roberts [1996] Gossett et al. [1985] Hansen et al. [1993] Munz and Roberts [1987] Gossett et al. [1985]
type M V L M M V C M M ? X X X X X X X L X M V L M M M X M M C M M V V V M X X X X X X X X X L X X X X
note 81,8
3900 4300
4100 3800 3900 3700 2400 1500 4500 4700 4200 3500
39 3 3 3 3 3 3 3 3 81,8
3200 4300 4100 3500 3200 4700 3800 3100
45
8 82 3 3 3 3 3 3 3 3 3 3 3 3 3
4600 1700 3400 4000 3700 7000 4400 5200 3400 3900 4200 3200 4100 4300

d ln kH d(1/T )
75
substance 1,1,2-trichloroethane CHCl2 CH2 Cl [79-00-5]
1,1,1,2-tetrachloroethane CCl3 CH2 Cl [630-20-6]
1,1,2,2-tetrachloroethane CHCl2 CHCl2 [79-34-5]
pentachloroethane CHCl2 CCl3 [76-01-7] hexachloroethane C2 Cl6 [67-72-1]
kH [M/atm] 1.1 8.4101 1.2 1.3 1.1 1.0 1.2 1.2 1.2 1.2 1.0 1.1 1.2 1.3 2.2 3.6101 4.0101 3.7101 3.4101 4.5101 2.1 2.0 2.1 3.0 1.8 1.9 2.2 2.3 2.4 2.4 2.8 4.1101 4.6101 4.0101 5.5101 4.4101 7.8102 8.2101 4.4102 1.0101 2.5101 1.2101 2.5101
[K]
reference Hine and Mookerjee [1975] Mackay and Shiu [1981] Wright et al. [1992b] Hansen et al. [1995] Dilling [1977] Yaws and Yang [1992] USEPA [1982] Wright et al. [1992a] Tse et al. [1992] Barr and Newsham [1987] Ashworth et al. [1988] Staudinger and Roberts [1996] Leighton and Calo [1981] Hansen et al. [1993] Hine and Mookerjee [1975] Mackay and Shiu [1981] Wright et al. [1992b] Dilling [1977] Wright et al. [1992a] Tse et al. [1992] Mackay and Shiu [1981] Wright et al. [1992b] Dilling [1977] Yaws and Yang [1992] Barr and Newsham [1987] Wright et al. [1992a] Ashworth et al. [1988] USEPA [1982] Staudinger and Roberts [1996] Tse et al. [1992] Leighton and Calo [1981] Hine and Mookerjee [1975] Mackay and Shiu [1981] Dilling [1977] Yaws and Yang [1992] Hine and Mookerjee [1975] Mackay and Shiu [1981] Dilling [1977] Yaws and Yang [1992] USEPA [1982] Staudinger and Roberts [1996] Ashworth et al. [1988] Munz and Roberts [1987]
type V L M M V ? X X X X X L X X V L M V X X L M V ? X X X X L X X V L V ? V L V ? X L X X
note
3900 5900
2700 3800 4000 4300 4800 4900 3700 6100
39 3 3 3 3 3 3 3
4800 4500 4600 5000
3 3
4200 4700 2800 3000 3200 4800 3600
39 3 3 3 3 3 3
39
2100 5600 2600 5600
39 3 3 3
76

d ln kH d(1/T )
substance 1-chloropropane C3 H7 Cl [540-54-5] 2-chloropropane C3 H7 Cl [75-29-6] 1,2-dichloropropane C3 H6 Cl2 [78-87-5]
kH [M/atm] 7.4102 9.2102 9.3102 6.2102 6.9102 3.4101 3.7101 3.7101 3.4101 3.4101 4.0101 3.0101 3.4101 3.5101 3.8101 1.0 1.0 1.0 4.4 3.1 2.9 2.8 3.4 8.4101 6.4102 5.1102 5.7102 5.9102 6.0102 5.4102 4.1102 1.3101
[K]
reference Hine and Mookerjee Mackay and Shiu Yaws and Yang Hine and Mookerjee Yaws and Yang [1975] [1981] [1992] [1975] [1992]
type V L ? V ? V M ? X X X X L X X V ? X M V ? X L L ? V ? ? X ? X V
note
39, 8 39, 8
3800 2100 3600 3700 3800 4300 4300 4700
1,3-dichloropropane C3 H6 Cl2 [142-28-9] 1,2,3-trichloropropane C3 H5 Cl3 [96-18-4]
3900 4000
3500 3700
1-chloro-2-methylpropane C4 H9 Cl [513-36-0] 1-chlorobutane C4 H9 Cl [109-69-3] 2-chlorobutane C4 H9 Cl [78-86-4] 1,1-dichlorobutane C4 H8 Cl2 [541-33-3] 1,4-dichlorobutane C4 H8 Cl2 1-chloropentane C5 H11 Cl [543-59-9] 2-chloropentane C5 H11 Cl [625-29-6]
Hine and Mookerjee [1975] Wright et al. [1992b] Yaws and Yang [1992] USEPA [1982] Wright et al. [1992a] Tse et al. [1992] Bissonette et al. [1990] Staudinger and Roberts [1996] Leighton and Calo [1981] Ashworth et al. [1988] Hine and Mookerjee [1975] Yaws and Yang [1992] Leighton and Calo [1981] Tancr`de and Yanagisawa [1990] e Dilling [1977] Yaws and Yang [1992] Leighton and Calo [1981] Staudinger and Roberts [1996] Mackay and Shiu [1981] Yaws and Yang [1992] Hine and Mookerjee Ho et al. Yaws and Yang Leighton and Calo Yaws and Yang Leighton and Calo [1975] [1993] [1992] [1981] [1992] [1981]
39 3 3 3 3 3 3 39 3
39 3
39, 8
3500 4500
13 39 3 39 3
2.0
3100
Leighton and Calo [1981]
4.6102 2.0102 4.2102 3.6102
4700
Hine and Mookerjee Yaws and Yang Leighton and Calo Hine and Mookerjee
[1975] [1992] [1981] [1975]
V ? X V
39 3

d ln kH d(1/T )
77
substance 3-chloropentane C5 H11 Cl [616-20-6] 1,5-dichloropentane C5 H10 Cl2 2-chloro-2-methylbutane C5 H11 Cl [594-36-5] 1-chlorohexane C6 H13 Cl 1,10-dichlorodecane C10 H20 Cl2 1,2,9,10-tetrachlorodecane C10 H18 Cl4 pentachlorodecane isomers C10 H17 Cl5 1,2,10,11-tetrachloroundecane C11 H20 Cl4 pentachloroundecane isomers C11 H19 Cl5 1,12-dichlorododecane C12 H24 Cl2 polychlorinated dodecane isomers C12 Hx Cly
kH [M/atm] 3.8102
[K]
type V
note
1.8
1600
3.1101
39
4.1102
4500
2.0101
Drouillard et al. [1998]
5.7
2.1101 3.9101 1.6101
Drouillard et al. [1998] Drouillard et al. [1998] Drouillard et al. [1998]
M M M
6.9101 1.5102 1.6101
Drouillard et al. [1998] Drouillard et al. [1998] Drouillard et al. [1998]
M M V
7.4101
78

d ln kH d(1/T )
substance chloroethene CH2 CHCl (vinyl chloride) [75-01-4]
1,1-dichloroethene CH2 CCl2 [75-35-4]
(Z)-1,2-dichloroethene CHClCHCl (cis-1,2-dichloroethene) [156-59-2]
kH [M/atm] 8.2104 1.8102 4.6102 3.8102 9.5104 4.3102 4.4102 3.9102 4.0102 6.5103 7.6103 3.9102 5.3103 6.2103 4.3102 3.7102 6.6102 1.4102 2.7102 3.4102 3.4102 3.7102 3.0101 1.3101 2.7101 2.4101 1.3101 1.3101 2.1101 2.2101 2.3101 2.4101 2.5101 2.6101
[K]
reference Pearson and McConnell [1975] Hine and Mookerjee [1975] Wilhelm et al. [1977] Gossett [1987] Dilling [1977] Dilling [1977] Yaws and Yang [1992] Staudinger and Roberts [1996] Ashworth et al. [1988] Pearson and McConnell [1975] Mackay and Shiu [1981] Gossett [1987] Dilling [1977] Dilling [1977] Yaws and Yang [1992] Tse et al. [1992] USEPA [1982] Ervin et al. [1980] Leighton and Calo [1981] Staudinger and Roberts [1996] Bissonette et al. [1990] Ashworth et al. [1988] Hine and Mookerjee [1975] Mackay and Shiu [1981] Gossett [1987] Wright et al. [1992b] Dilling [1977] Yaws and Yang [1992] Ashworth et al. [1988] Ervin et al. [1980] Wright et al. [1992a] Staudinger and Roberts [1996] Bissonette et al. [1990] Tse et al. [1992]
type M V L M V V ? L X M L M V V ? X X X X L X X V L M M V ? X X X L X X
note 81,74
3000 3300
39 3 81,8
3100 2900
3700
3100 1200 6600 4600 4000 4500 2900
8 39 3 3 3 3 3 3
4200 3800
3100 4100 4000 3900 4200 3400
39 3 3 3 3 3

d ln kH d(1/T )
79
substance (E)-1,2-dichloroethene CHClCHCl (trans-1,2-dichloroethene) [156-60-5]
trichloroethene C2 HCl3 (trichloroethylene) [79-01-6]
kH [M/atm] 1.5101 1.5101 1.1101 1.0101 9.9102 1.5101 1.5101 1.0101 1.1101 1.1101 1.9101 7.1102 8.6102 9.1102 9.8102 9.9102 1.1101 8.5102 8.2102 9.9102 1.1101 1.3101 1.1101 9.7102 1.3101 1.2101 8.4102 1.0101 2.4101 1.1101 8.6102 1.0101 1.1101 1.2101 8.2102 8.9102 1.0101 1.0101 1.0101 1.1101 7.5102 9.7102 9.7102 9.9102 9.9102
[K]
reference Hine and Mookerjee [1975] Mackay and Shiu [1981] Gossett [1987] Wright et al. [1992b] Hansen et al. [1995] Dilling [1977] Yaws and Yang [1992] Ashworth et al. [1988] Tse et al. [1992] Wright et al. [1992a] USEPA [1982] Ervin et al. [1980] Bissonette et al. [1990] Staudinger and Roberts [1996] Cooling et al. [1992] Hansen et al. [1993] Pearson and McConnell [1975] Hine and Mookerjee [1975] Mackay and Shiu [1981] Linco and Gossett [1984] Gossett [1987] Tancr`de and Yanagisawa [1990] e Wright et al. [1992b] Robbins et al. [1993] Nielsen et al. [1994] Dewulf et al. [1995] Dilling [1977] Dilling [1977] Dilling [1977] Ho et al. [1993] Yaws and Yang [1992] Wright et al. [1992a] Cooling et al. [1992] Tse et al. [1992] Kavanaugh and Trussell [1980] USEPA [1982] Staudinger and Roberts [1996] Leighton and Calo [1981] Bissonette et al. [1990] Gossett et al. [1985] Ervin et al. [1980] Ashworth et al. [1988] Munz and Roberts [1987] Lamarche and Droste [1989] Gossett et al. [1985]
type V L M M M V ? X X X X X X L X X M V L M M M M M M M V V V M ? X X X X X L X X X X X X X X
note
4200 4000 3400
3000 3400 4300 1700 5400 4800 4100 4100 3300
39 3 3 3 3 3 3 3 3 81,8
4900 4800 5200 4200 3500 3600
8 82 39 3 3 3 3 3 3 3 3 3 3 3 3 3
4100 4400 3900 4000 1600 4600 4700 5200 4300 4800 3700 4700 2100 4900
80

d ln kH d(1/T )
substance tetrachloroethene C2 Cl4 (tetrachloroethylene) [127-18-4]
3-chloro-1-propene C3 H5 Cl [107-05-1] 1,3-dichloropropene C3 H4 Cl2 [542-75-6] cis-1,3-dichloropropene C3 H4 Cl2 [10061-01-5] trans-1,3-dichloropropene C3 H4 Cl2 2,3-dichloropropene C3 H4 Cl2 hexachlorobutadiene CCl2 CClCClCCl2 [87-68-3] trichloroethanal CCl3 CHO (trichloroacetaldehyde) chloro-2-propanone CH2 ClCOCH3
kH [M/atm] 5.0102 3.7102 4.4102 5.7102 5.7102 6.0102 8.2102 5.6102 7.0102 3.4102 4.0102 1.2101 8.2102 6.4102 3.7102 3.6102 4.0102 5.9102 5.5102 5.5102 5.8102 5.8102 6.2102 6.3102 6.6102 1.1101 9.3102 1.1101 6.5101 2.8101 5.2101 4.2101 4.3101 5.6101 5.7101 2.8101 2.7101 4.0102 9.7102 9.9102 3.4105
[K]
reference Pearson and McConnell [1975] Hine and Mookerjee [1975] Mackay and Shiu [1981] Linco and Gossett [1984] Gossett [1987] Tancr`de and Yanagisawa [1990] e Kolb et al. [1992] Robbins et al. [1993] Dewulf et al. [1995] Dilling [1977] Dilling [1977] Dilling [1977] Dilling [1977] Ho et al. [1993] Yaws and Yang [1992] USEPA [1982] Kavanaugh and Trussell [1980] Staudinger and Roberts [1996] Ashworth et al. [1988] Munz and Roberts [1987] Gossett et al. [1985] Ervin et al. [1980] Leighton and Calo [1981] Bissonette et al. [1990] Gossett et al. [1985] Hine and Mookerjee [1975] Dilling [1977] Yaws and Yang [1992] Wright et al. [1992b] USEPA [1982] Meylan and Howard [1991] Mackay and Shiu [1981] Dilling [1977] Mackay and Shiu [1981] Dilling [1977] Mackay and Shiu [1981] Dilling [1977] Pearson and McConnell Meylan and Howard USEPA Betterton and Homann [1975] [1991] [1982] [1988]
type M V L M M M X M M V V V C M ? X X L X X X X X X X V V ? M X X L V L V L V M X X M
note 81,8
5100 4900 5500 3600 4500
45
8 82
1500 5000 4800 4400 4400 5100 5200 4700 5300 4600
39 3 3 3 3 3 3 3 3 3
39 3 3
4200 1500
4700 3500
81,8 3 3 63
5.9101
5400
Betterton [1991]

d ln kH d(1/T )
81
substance chloroethanoic acid CH2 ClCOOH (chloroacetic acid) [79-11-8] dichloroethanoic acid CHCl2 COOH (dichloroacetic acid) [79-43-6] trichloroethanoic acid CCl3 COOH (trichloroacetic acid) [76-03-9] trichloroacetylchloride CCl3 COCl 1-chloro-2,3-epoxypropane 2-chloroethylvinylether bis(2-chloroethoxy)methane C5 H10 Cl2 O2 [111-91-1] 1,5-dichloro-3-oxapentane C4 H8 Cl2 O (bis(2-chloroethyl)ether) [111-44-4] bis(2-chloroisopropyl)ether C6 H12 Cl2 O [108-60-1]
kH [M/atm] 1.1105
[K] 9700
reference Bowden et al. [1998b]
type M
note
1.2105
8000
7.4104
8700
Bowden et al. [1998a]
2.0
Mirabel et al. [1996]
2.8101 3.1 2.6103
3700 2500 5500
USEPA [1982] USEPA [1982] USEPA [1982]
X X X
3 3 3
4.7101
4100
USEPA [1982]
6.6
2800
USEPA [1982]
82

d ln kH d(1/T )
substance
kH [M/atm] 2.2101 2.7101 2.7101 2.9101 3.2101 2.6101 2.9101 2.2101 2.5101 3.2101 2.4101 2.6101 2.7101 2.9101 3.0101 4.1101 5.3101 5.3101 3.3101 5.3101 5.5101 4.9101 5.4101 6.0101 2.1101 2.8101 3.4101 3.0101 3.9101 3.0101 2.2101 6.3101 4.2101 2.3101 3.1101 3.8101 3.1101 4.3101 8.0101 2.7101 7.1101 4.6101 6.3101
[K]
reference
type
note
aromatic compounds with chlorine

chlorobenzene C6 H5 Cl [108-90-7] Hine and Mookerjee Mackay et al. Mackay et al. Mackay and Shiu Mackay and Shiu Ho et al. Hartkopf and Karger Yaws and Yang USEPA Cooling et al. Bissonette et al. Ashworth et al. Staudinger and Roberts Ervin et al. Leighton and Calo Hine and Mookerjee Mackay and Shiu Mackay and Shiu Yaws and Yang USEPA Staudinger and Roberts Bissonette et al. Ashworth et al. Gossett et al. Hine and Mookerjee Mackay and Shiu Ho et al. Yaws and Yang USEPA Ashworth et al. Hine and Mookerjee Mackay and Shiu Mackay and Shiu Yaws and Yang Ashworth et al. USEPA Ashworth et al. Mackay and Shiu Mackay and Shiu Mackay and Shiu USEPA Ashworth et al. Mackay and Shiu [1975] [1979] [1979] [1981] [1981] [1993] [1973] [1992] [1982] [1992] [1990] [1988] [1996] [1980] [1981] [1975] [1981] [1981] [1992] [1982] [1996] [1990] [1988] [1985] [1975] [1981] [1993] [1992] [1982] [1988] [1975] [1981] [1981] [1992] [1988] [1982] [1988] [1981] [1981] [1981] [1982] [1988] [1981] V M T L M M M ? X X X X L X X V L M ? X L X X X V L M ? X X V L M ? X X X L M L X X L
4600 2100 1900 4700 2700 3800 4200 3500
39 3 3 3 3 3 3
1,2-dichlorobenzene C6 H4 Cl2 (o-dichlorobenzene) [95-50-1]
2800 5900 5100 1400 6700
39 3 3 3 3
1,3-dichlorobenzene C6 H4 Cl2 (m-dichlorobenzene) [541-73-1]
2400 2600
39 3 3
1,4-dichlorobenzene C6 H4 Cl2 (p-dichlorobenzene) [106-46-7]
2700 2700 2700
39 3 3 3
1,2,3-trichlorobenzene C6 H3 Cl3 [87-61-6] 1,2,4-trichlorobenzene C6 H3 Cl3 [120-82-1] 1,3,5-trichlorobenzene C6 H3 Cl3 [108-70-3]
2500 4000
3 3

d ln kH d(1/T )
83
substance 1,2,3,4-tetrachlorobenzene C6 H2 Cl4 [634-66-2] 1,2,3,5-tetrachlorobenzene C6 H2 Cl4 [634-90-2] 1,2,4,5-tetrachlorobenzene C6 H2 Cl4 [95-94-3] pentachlorobenzene C6 HCl5 hexachlorobenzene C6 Cl6
kH [M/atm] 3.9101 1.3 1.7101 6.4101 3.9101
[K] 4800
reference Mackay and Shiu [1981] tenHulscher et al. [1992] Mackay and Shiu [1981] Mackay and Shiu [1981] Mackay and Shiu [1981]
type L X L M L
note
1.0101 1.4 2.0101 2.4103 2.1 5.9101 1.6
5200
Mackay and Shiu [1981] tenHulscher et al. [1992] Mackay and Shiu Yaws and Yang tenHulscher et al. USEPA Mackay and Shiu [1981] [1992] [1992] [1982] [1981]
L X L ? X X L
5800 1600
39 3 3
-chlorotoluene C6 H5 CH2 Cl 1-chloro-2-methylbenzene C7 H7 Cl (o-chlorotoluene) [95-49-8] 1-chloronaphthalene C10 H7 Cl 2-chloronaphthalene C10 H7 Cl
1.9 2.8101
3000 3500
USEPA [1982] Leighton and Calo [1981]
X X
3 3
2.9101 2.9101 3.2 3.2 1.6 3.1 1.1101 4.0104
Mackay and Shiu [1981] Mackay and Shiu [1981] Mackay and Shiu Mackay and Shiu USEPA Meylan and Howard USEPA Meylan and Howard [1981] [1981] [1982] [1991] [1982] [1991]
L M L M X X X X
3800 1300
hydroxypentachlorobenzene C6 HCl5 O (pentachlorophenol) [87-86-5] 2-hydroxychlorobenzene C6 H5 ClO (2-chlorophenol) [95-57-8] 2.4-dichlorophenol 4-chloro-2-nitrophenol C6 H4 ClNO3 [89-64-5] 4-chloro-5-methyl-2-nitrophenol C7 H6 ClNO3 (4-chloro-6-nitro-m-cresol) [7147-89-9]
3 3 3 3
1.2102
4600
USEPA [1982]
1.5102 7.9101
4900
USEPA [1982] Schwarzenbach et al. [1988]
X V
3 8
3.6101
84

d ln kH d(1/T )
substance
kH [M/atm] 1.5101 1.5101 1.5101 3.4102 3.4102 2.4101 3.3102 3.1102 3.7102 1.9101
[K]
reference
type
note
compounds with chlorine and uorine

chlorouoromethane CH2 FCl (R31) chlorodiuoromethane CHF2 Cl (R22) 2600 Hine and Mookerjee [1975] Wilhelm et al. [1977] Yaws and Yang [1992] Hine and Mookerjee Wilhelm et al. Kanakidou et al. Yaws and Yang Kavanaugh and Trussell Zheng et al. Yaws and Yang [1975] [1977] [1995] [1992] [1980] [1997] [1992] V L ? V L C ? X M ?
39
3400
3400 2700
84 39 3 39
dichlorouoromethane CHFCl2 (R21) chlorotriuoromethane CF3 Cl (R13) dichlorodiuoromethane CF2 Cl2 (R12)
5.8104 9.4104 8.9104 2.5103 2.4103 2.1103 2.3103 2.5103 3.1103 3.5104 8.2103 1.2103 9.2103 1.1102 8.2103 1.0102 1.7102 1.0102 1.0102
1600
Hine and Mookerjee [1975] Wilhelm et al. [1977] Yaws and Yang [1992] Pearson and McConnell Hine and Mookerjee Wilhelm et al. Mackay and Shiu Yaws and Yang Munz and Roberts USEPA Liss and Slater Pearson and McConnell Mackay and Shiu Hunter-Smith et al. Yaws and Yang Staudinger and Roberts USEPA Ashworth et al. Hine and Mookerjee [1975] [1975] [1977] [1981] [1992] [1987] [1982] [1974] [1975] [1981] [1983] [1992] [1996] [1982] [1988] [1975]
V L ? M V L L ? X X C M L M ? L X X V
39 81,8
1800
3500 -210
39 3 3 81,8
trichlorouoromethane CFCl3 (R11)
2700 3100 740 3500
39 3 3
1,1,2,2-tetrachlorodiuoroethane C2 F2 Cl4 (R112) 1,1,2-trichlorotriuoroethane C2 F3 Cl3 (R113) 1,1-dichlorotetrauoroethane C2 F4 Cl2 (R114) 1,2-dichlorotetrauoroethane C2 F4 Cl2 (R114)
2.0103 2.0103 3.4103 5.9104
3200
Hine and Mookerjee [1975] Yaws and Yang [1992] Ashworth et al. [1988] Hine and Mookerjee [1975]
V ? X V
39 3
8.2104 8.3104
Hine and Mookerjee [1975] Yaws and Yang [1992]
V ?
39

d ln kH d(1/T )
85
substance chloropentauoroethane C2 F5 Cl (R115) dichlorotriuoroethane C2 HF3 Cl2 (R123) 1-chloro-1,2,2,2-tetrauoroethane C2 HF4 Cl (R124) 2-chloro-1,1,1-triuoroethane C2 H2 F3 Cl (R133) 1,1-dichloro-1-uoroethane CH3 CFCl2 (R141B) 1-chloro-1,1-diuoroethane CH3 CF2 Cl (R142B) chlorodiuoroethanoic acid CF2 ClCOOH (chlorodiuoroacetic acid) [76-04-0] chlorodiuoroethanoic peroxyacid CClF2 COOOH dichlorouoroethanoic peroxyacid CCl2 FCOOOH carbonic chloride uoride COFCl triuoroacetylchloride CF3 COCl generic peroxide with uorine and/or chlorine ROOH chlorodiuoronitrooxymethane CClF2 OONO2
kH [M/atm] 3.2104 3.4104 3.8104 2.9102
[K] 2800
reference Hine and Mookerjee [1975] Wilhelm et al. [1977] Yaws and Yang [1992] Kanakidou et al. [1995]
type V L ? C
note
39
2600
1.1102
3200
3.7102
7.9103
5200
1.4102
2500
2.5104
10000
3.0103
3.0103
1.0101
2.5 2.0 3.0101
Kanakidou et al. [1995] Mirabel et al. [1996] Kanakidou et al. [1995]
C M E 80
2.9
5900
85
86

d ln kH d(1/T )
substance
kH [M/atm] 1.6101 1.6101 1.9101 1.5101 4.4103 1.1 3.2 1.1 9.3101 1.1 1.1 1.5 1.6 2.3 1.7 2.3 1.4 1.8 1.9 2.0 1.7 1.9 1.3101 1.3101 1.4 1.4 1.1 1.5 1.1101 1.4101 9.2102 1.0101 1.1 6.8101 1.1
[K]
reference
type
note
compounds with bromine

bromomethane CH3 Br [74-83-9] 3100 Hine and Mookerjee [1975] Wilhelm et al. [1977] Mackay and Shiu [1981] Yaws and Yang [1992] USEPA [1982] Hine and Mookerjee [1975] Mackay and Shiu [1981] Wright et al. [1992b] Moore et al. [1995] Wright et al. [1992a] Tse et al. [1992] Hine and Mookerjee [1975] Mackay and Shiu [1981] Nicholson et al. [1984] Nicholson et al. [1984] Wright et al. [1992b] Moore et al. [1995] USEPA [1982] Tse et al. [1992] Wright et al. [1992a] Staudinger and Roberts [1996] Munz and Roberts [1987] Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee Yaws and Yang USEPA Ashworth et al. Hine and Mookerjee Yaws and Yang [1975] [1992] [1982] [1988] [1975] [1992] V L L ? X V L M M X X V L M C M M X X X L X V ? V ? X X V ? V ? V ? V
360
8 39 3
dibromomethane CH2 Br2 [74-95-3]
3900 4400 3700 4000
3 3
tribromomethane CHBr3 [75-25-2]
5700 5000 2700 4300 5200 5200 4700
3 3 3 3 39
bromoethane C2 H5 Br [74-96-4] 1,2-dibromoethane C2 H4 Br2 [106-93-4] 1-bromopropane C3 H7 Br [106-94-5] 2-bromopropane C3 H7 Br [75-26-3] 1,2-dibromopropane C3 H6 Br2 [78-75-1] 1,3-dibromopropane C3 H6 Br2 [109-64-8]
1900 3900
39 3 3 39, 8
Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee [1975]
39, 8
39

d ln kH d(1/T )
87
substance 1-bromobutane C4 H9 Br [109-65-9] 1-bromo-2-methylpropane C4 H9 Br [78-77-3] 2-bromo-2-methylpropane C4 H9 Br 1-bromo-3-methylbutane C5 H11 Br [107-82-4] 1-bromopentane C5 H11 Br 3-bromo-1-propene C3 H5 Br bromoethanoic acid CH2 BrCOOH (bromoacetic acid) [79-08-3] dibromoethanoic acid CHBr2 COOH (dibromoacetic acid) [631-64-1] tribromoethanoic acid CBr3 COOH (tribromoacetic acid) [75-96-7] bromobenzene C6 H5 Br [108-86-1]
kH [M/atm] 8.2102 4.7102 8.3102 4.3102
[K]
reference Hine and Mookerjee Ho et al. Yaws and Yang Hine and Mookerjee [1975] [1993] [1992] [1975]
type V M ? V
note
39
3.1102
39, 86
2.9102
5.1102
39
1.7101
39
1.5105
9300
2.3105
8900
3.0105
9000
1,3-dibromobenzene C6 H4 Br2 [108-36-1] 1,4-dibromobenzene C6 H4 Br2 [106-37-6] 1-bromo-4-methylbenzene BrC6 H4 CH3 (p-bromotoluene) 1-bromo-2-ethylbenzene BrC6 H4 C2 H5
4.8101 4.8101 4.1101 5.4101 4.7101 5.4101 5.1101
5300 5400
Hine and Mookerjee Mackay and Shiu Mackay and Shiu Hansen et al. Yaws and Yang Hansen et al. Mackay and Shiu
[1975] [1981] [1981] [1995] [1992] [1993] [1981]
V L M M ? X L
39 3
2.0 4.9101 4.3101
Hine and Mookerjee [1975] Mackay and Shiu [1981] Hine and Mookerjee [1975]
V L V
3.0101
88

d ln kH d(1/T )
substance 1-bromo-2-(2-propyl)-benzene BrC6 H4 C3 H7 (o-bromocumene) 4-bromophenol HOC6 H4 Br bromotriuoromethane CHF3 Br bromodichloromethane CHCl2 Br
kH [M/atm] 1.7101
[K]
type V
note
7.0103
8200
54
2.0103
dibromochloromethane CHClBr2
1-chloro-2-bromoethane C2 H4 BrCl [107-04-0] 1-bromo-4-chlorobenzene ClC6 H4 Br
6.3101 4.3101 4.8101 4.0101 4.6101 5.2101 3.5101 4.0101 1.1 1.2 1.1 7.3101 1.2 9.8101 8.6101 8.7101 8.7101 1.1
4700 1200 3900 5200 5200
4900 2500 4000 6400 5000 5500
Nicholson et al. Nicholson et al. Nicholson et al. Moore et al. USEPA Tse et al. Ervin et al. Staudinger and Roberts Nicholson et al. Nicholson et al. Nicholson et al. Moore et al. USEPA Tse et al. Ashworth et al. Ervin et al. Staudinger and Roberts Hine and Mookerjee
[1984] [1984] [1984] [1995] [1982] [1992] [1980] [1996] [1984] [1984] [1984] [1995] [1982] [1992] [1988] [1980] [1996] [1975]
M C C M X X X L M C C M X X X X L V
3 3 3
3 3 3 3
6.9101
Mackay and Shiu [1981]

d ln kH d(1/T )
89
substance
kH [M/atm] 1.7101 1.8101 1.9101 1.4101 3.5101 2.3 2.8 3.4101
[K]
reference
type
note
compounds with iodine

iodomethane CH3 I [74-88-4] Liss and Slater Hine and Mookerjee Hunter-Smith et al. Moore et al. Yaws and Yang Moore et al. Yaws and Yang [1974] [1975] [1983] [1995] [1992] [1995] [1992] C V M M ? M ? ?
3800 4300 5000
39 39 39
diiodomethane CH2 I2 [75-11-6] triiodomethane CHI3 (iodoform) [75-47-8] iodoethane C2 H5 I [75-03-6] 1-iodopropane C3 H7 I [107-08-4] 2-iodopropane C3 H7 I [75-30-9] 1-iodobutane C4 H9 I [542-69-8] iodobenzene C6 H5 I [591-50-4] chloroiodomethane CH2 ClI [593-71-5]
1.4101 1.8101 1.1101 1.2101 8.9102 1.1101 6.3102
Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee [1975] Yaws and Yang [1992] Hine and Mookerjee [1975]
V ? V ? V ? V
39, 8
39
39, 8
7.8101 7.5101 8.9101 4300
Mackay and Shiu [1981] Yaws and Yang [1992] Moore et al. [1995]
L ? M
39
90

d ln kH d(1/T )
substance
kH [M/atm] 3.3101 3.9101 7.1101 2.0101 2.6101 3.6101 2.8101 2.2101 2.6101 3.4101 2.5101
[K]
reference
type
note
compounds with sulfur

methanethiol CH3 SH (methyl mercaptan) 3100 2800 1600 3400 Hine and Weimar Przyjazny et al. Russell et al. De Bruyn et al. USEPA Hine and Mookerjee Przyjazny et al. Vitenberg et al. Karl and Lindinger Yaws and Yang Przyjazny et al. [1965] [1983] [1992] [1995] [1982] [1975] [1983] [1975] [1997] [1992] [1983] M M E M X V M M M ? M
87 3
ethanethiol C2 H5 SH (ethyl mercaptan) [75-08-1] 1-propanethiol C3 H7 SH 1-butanethiol C4 H9 SH [109-75-5] thiophenol C6 H5 SH thioanisole C6 H5 SCH3 dimethyl sulde CH3 SCH3 (DMS)
43 39
3600
2.2101 1.1101 3.0 3.0 4.1 4.1 5.5101 1.6101 6.2101 7.1101 5.6101 4.4101 6.2101 5.6101 4.8101 8.0102 4.8101 4.6101 5.6101 3.3101
3800
Przyjazny et al. [1983] Yaws and Yang [1992] Hine and Weimar [1965] Hine and Mookerjee [1975] Hine and Weimar [1965] Hine and Mookerjee [1975] Hine and Weimar Lovelock et al. Vitenberg et al. Vitenberg et al. Przyjazny et al. Cline and Bates Ganey and Senum Dacey et al. Aneja and Overton Russell et al. De Bruyn et al. Hine and Mookerjee Przyjazny et al. [1965] [1972] [1975] [1975] [1983] [1983] [1984] [1984] [1990] [1992] [1995] [1975] [1983]
M ? V V V V V M M R M C X M X E M V M M
39
8 8 88, 83 48 89 87
3700
3500 3500 3100 4600 4200
diethyl sulde C2 H5 SC2 H5 dipropyl sulde C3 H7 SC3 H7 di-(2-propyl)-sulde (C3 H7 )2 S dimethyl disulde CH3 SSCH3 diethyl disulde C2 H5 SSC2 H5
Przyjazny et al. [1983]
3.0101
4700
Przyjazny et al. [1983]
8.4101 9.2101 9.6101 4.7101 6.5101 5.8101
4000 4000
Vitenberg et al. Vitenberg et al. Przyjazny et al. Vitenberg et al. Przyjazny et al. Yaws and Yang
[1975] [1975] [1983] [1975] [1983] [1992]
M R M M M ?
8 8 8 39, 8

d ln kH d(1/T )
91
substance thiophene C4 H4 S [110-02-1] 2-methyl-thiophene CH3 C4 H3 S dimethylsulfoxide CH3 SOCH3 (DMSO) dimethylsulfone CH3 SO2 CH3 (DMSO2) methanesulfonic acid CH3 SO3 H (MSA) carbon oxide sulde OCS (carbonyl sulde)
kH [M/atm] 4.4101 3.4101 4.2101
[K] 3700
reference Przyjazny et al. [1983] Yaws and Yang [1992] Przyjazny et al. [1983]
type M ? M
note
39
4000
1.4103 >5.0104
Gmehling et al. [1981] De Bruyn et al. [1994]
X C
11
>5.0104
De Bruyn et al. [1994]
6.51013 /KA
Brimblecombe and Clegg [1988]
20
carbon disulde CS2
2,2-dichlorodiethylsulde (ClCH2 CH2 )2 S (mustard gas)
3.3102 2.1102 2.1102 2.2102 2.1102 1.5102 2.2102 1.9102 5.6102 4.4102 5.5102 5.2102 7.6102 3.0101
3300 3300 3000 3600 2100 4000 4100 2800 1200
Hempel Winkler Winkler Stock and Kuss Wilhelm et al. Hoyt De Bruyn et al. Yaws and Yang Rex Booth and Jolley De Bruyn et al. Yaws and Yang USEPA Hine and Mookerjee
[1901] [1906] [1907] [1917] [1977] [1982] [1995] [1992] [1906] [1943] [1995] [1992] [1982] [1975]
X X X X L X M ? X X M ? X V
30, 79 30 90 30, 8 91, 83 39 30 30 39 3
92

d ln kH d(1/T )
substance
kH [M/atm] 1.7101 1.2101
[K]
reference
type
note
polychlorobiphenyls (PCBs), pesticides, etc.

2,7-dichlorodibenzo[b,e][1,4]dioxin C12 H6 O2 Cl2 (2,7-DiCDD) [33857-26-0] 1,2,4-trichlorodibenzo[b,e][1,4]dioxin C12 H5 O2 Cl3 (1,2,4-TriCDD) 1,2,3,4-tetrachlorodibenzo[b,e][1,4]dioxin C12 H4 O2 Cl4 (1,2,3,4-TCDD) [30746-58-8] aroclor1221 aroclor1242 Santl et al. [1994] Shiu et al. [1988] M X 92
2.8101 2.6101
Santl et al. [1994] Shiu et al. [1988]
M X
92
5.1101 2.7101
Santl et al. [1994] Shiu et al. [1988]
M X
92
4.4 2.0 2.4 3.0 2.3 1.2101 3.0 3.6 3.1 3.3 8.6102 2.5 4.5 1.8 2.9 3.0 2.6 2.3 7.5 4.2
6700 10000 5900 7300 7500 4700 9700 8000 8300 9700 4400 8700
Burkhard et al. [1985] Murphy et al. USEPA Burkhard et al. Burkhard et al. USEPA Murphy et al. Burkhard et al. Burkhard et al. Murphy et al. USEPA Burkhard et al. [1987] [1982] [1985] [1985] [1982] [1987] [1985] [1985] [1987] [1982] [1985]
X X X X X X X X X X X X X X M X M X X M
3 3 3 3 3 3 3 3 3 3 3 3 93, 94 93
aroclor1248 aroclor1254
aroclor1260
aroclor1268 2,2-PCB C12 H8 Cl2 (IUPAC-4) [13029-08-8] 2,5-PCB C12 H8 Cl2 (IUPAC-9) [34883-39-1] 3,3-PCB C12 H8 Cl2 (IUPAC-11) [2050-67-1] 3,4-PCB C12 H8 Cl2 (IUPAC-12) [2974-92-7]
Murphy et al. [1983] Burkhard et al. [1985] Dunnivant et al. [1988] Burkhard et al. [1985] Dunnivant et al. [1988] tenHulscher et al. [1992] Burkhard et al. [1985] Dunnivant et al. [1988]
93 3 93
5700
1.0101 4.8
Burkhard et al. [1985] Dunnivant et al. [1988]
X M
93

d ln kH d(1/T )
93
substance 4,4-PCB C12 H8 Cl2 (IUPAC-15) [2050-68-2] 2,3,5-PCB C12 H7 Cl3 (IUPAC-26) [38444-81-4] 2,4,6-PCB C12 H7 Cl3 (IUPAC-30) [35693-92-6] 2,4,4-PCB C12 H7 Cl3 2,2,3,3-PCB C12 H6 Cl4 (IUPAC-40) [38444-93-8] 2,2,5,5-PCB C12 H6 Cl4 (IUPAC-52) [35693-99-3]
kH [M/atm] 3.3 6.9 9.2 5.1 3.5 3.0
[K]
reference Murphy et al. Coates Burkhard et al. Dunnivant et al. Burkhard et al. Dunnivant et al. [1983] [1984] [1985] [1988] [1985] [1988]
type X X X M X M
note 93, 94 93 93 93
2.7 1.5 1.4102 3.6
5000 6000
Burkhard et al. [1985] Dunnivant et al. [1988] USEPA [1982] tenHulscher et al. [1992]
X M X X
93 3 3
8.3 4.9 4.9 >1.9 <3.2 3.8 8.3 4.0101 1.9 2.9 4.2 6.8 5.4101 1.8 3.9 2.4
Oliver [1985] Burkhard et al. [1985] Dunnivant et al. [1988] Westcott et al. Westcott et al. Murphy et al. Oliver Hassett and Milicic Burkhard et al. Dunnivant et al. tenHulscher et al. Coates Burkhard et al. Dunnivant et al. [1981] [1981] [1983] [1985] [1985] [1985] [1988] [1992] [1984] [1985] [1988]
X X M X X X X X X M X X X M X M
93, 8 93
93 93 93, 94 93, 8 93 93 3 93 93
6100
2,2,6,6-PCB C12 H6 Cl4 (IUPAC-54) [15968-05-5] 2,2,5,6-PCB C12 H6 Cl4 (IUPAC-53) [41464-41-9] 3,3,4,4-PCB C12 H6 Cl4 (IUPAC-77) [32598-13-3] 2,2,4,5,5-PCB C12 H5 Cl5 (IUPAC-101) [37680-73-2]
93
2.3101 1.1101
X M
93
>2.8 <9.1 1.4101 3.1 3.9
Westcott et al. Westcott et al. Oliver Burkhard et al. Dunnivant et al.
[1981] [1981] [1985] [1985] [1988]
X X X X M
93 93 93, 8 93
94

d ln kH d(1/T )
substance 2,2,4,6,6-PCB C12 H5 Cl5 (IUPAC-104) [56558-16-8] 2,2,3,3,4,4-PCB C12 H4 Cl6 (IUPAC-128) [38380-07-3] 2,2,4,4,5,5-PCB C12 H4 Cl6 (IUPAC-153) [35065-27-1] 2,2,4,4,6,6-PCB C12 H4 Cl6 (IUPAC-155) [33979-03-2] hexachlorocyclopentadiene C5 Cl6 [77-47-4] -1,2,3,4,5,6-hexachlorocyclohexane C6 H6 Cl6 -1,2,3,4,5,6-hexachlorocyclohexane C6 H6 Cl6 (lindane) [58-89-9] dodecachloropentacyclodecane C10 Cl12 (mirex) [2385-85-5]
kH [M/atm] 5.5101 1.1
[K]
reference Burkhard et al. [1985] Dunnivant et al. [1988]
type X M
note 93
2.0 1.5101 3.3101 2.8 8.1 1.6101 5.7 7.6 8.7 6.5101 1.3 3.7102 6.1102 1.3102
Murphy et al. [1983] Burkhard et al. [1985] Dunnivant et al. [1988] Murphy et al. Coates Oliver Burkhard et al. Dunnivant et al. Coates Burkhard et al. Dunnivant et al. [1983] [1984] [1985] [1985] [1988] [1984] [1985] [1988]
X X M X X X X M X X M X X X
93, 94 93
93, 94 93 93, 8 93 93 93
1500 6500
Meylan and Howard [1991] USEPA [1982] Kucklick et al. [1991]
3 3 3
3.2102 2.2103 2.8102 1.2
5500 11000
Mackay and Shiu [1981] Brimblecombe [1986] Kucklick et al. [1991] Yin and Hassett [1986]
L ? X X
38 3 3

d ln kH d(1/T )
95
substance aldrin C12 H8 Cl6 [309-00-2] dieldrin C12 H8 OCl6 [60-57-1] 1,1,1-trichloro-2,2-bis-(4chlorophenyl)ethane C14 H9 Cl5 (DDT) [50-29-3] molinate C9 H17 NOS parathion C10 H14 NO5 PS [56-38-2] malathion C10 H19 O6 PS2 [121-75-5] methylchlorpyrifos C7 H7 NO3 Cl3 PS [5598-13-0] fenitrothion C9 H12 NO5 PS [122-14-5] dicapthon C8 H9 NO5 ClPS [2463-84-5] ronnel C8 H8 O3 Cl3 PS [299-84-3] leptophos C13 H10 O3 BrCl2 P [21609-90-5]
kH [M/atm] 3.6101 8.5101 9.2101 5.8103 1.9101 2.8101
[K]
reference Mackay and Shiu [1981] Brimblecombe [1986] Mackay and Shiu [1981] Brimblecombe [1986] Mackay and Shiu [1981] Brimblecombe [1986]
type L ? L ? L ?
note
38
38
38
1.7102
7300
Sagebiel et al. [1992]
8.2102
2.7103
3.3102
2.7103
4.4103
4.8101
3.8102
96
Notes
1) The value is taken from the compilation of solubilities by W. Asman (unpublished). 2) Only the tabulated data between T = 273 K and T = 303 K from Dean [1992] was used to derive kH and soln H/R. Above T = 303 K the tabulated data could not be parameterized by equation (4) very well. The partial pressure of water vapor (needed to convert some Henrys law constants) was calculated using the formula given by Sander et al. [1994]. The quantities A and from Dean [1992] were assumed to be identical. 3) Value given here as quoted by Staudinger and Roberts [1996]. 4) Homann and Jacob [1984] refer to several references in their list of Henrys law constants but they dont assign them to specic species. 5) Calculated from correlation between the polarizabilities and solubilities of stable gases. The temperature dependence is an estimate of the upper limit. 6) Jacob [1986] assumed the temperature dependence to be the same as for water. 7) Schwartz [1984] gives an upper limit of kH = 6.8103 M/atm. In the abstract a range of 1103 M/atm < kH < 3103 M/atm is given. The mean value of this range (2103 M/atm) has been used by Lelieveld and Crutzen [1991], Pandis and Seinfeld [1989], and Jacob [1986]. 8) Value at T = 293 K. 9) This value is a correction of the solubility published by Lind and Kok [1986]. 10) This value was measured at low pH. It is superseded by a later publication of the same group [Lind and Kok , 1994]. 11) Value given here as quoted by Betterton [1992]. 12) Bone et al. [1983] gives Carter et al. [1968] as the source for the data. However, no data was found in that reference. 13) Several references are given in the list of Henrys law constants but not assigned to specic species. 14) The parametrization given by Lide and Frederikse [1995] (parameters A, B, C) doesnt t the data in the same paper for this substance. Therefore the parametriztaion of the solubility data (X1 ) was recalculated. 15) Value at T = 295 K. 16) Value obtained by estimating the diusion coecient for NO3 to be D = 1.0105 cm2 /s. 17) The value given by Seinfeld and Pandis [1998] is wrong. 18) The assumption of irreversible hydrolysis is equivalent to an innite eective Henrys law constant. 19) This value was extrapolated from data at T = 230 K and T = 273 K. 20) For strong acids, the solubility is often expressed as kH = ([H+ ] + [A ])/p(HA). To obtain the physical solubility of HA, the value has to be divided by the acidity constant KA . 21) Brimblecombe and Clegg [1989] corrects erroneous data from Brimblecombe and Clegg [1988]. 22) Lelieveld and Crutzen [1991] assume the temperature dependence to be the same as for a(H+ )a(NO )/p(HNO3 ) in 3 Schwartz and White [1981]. 23) Mller and Mauersberger [1992] assumed the solubility to be comparable to HNO3 . o 24) This value was extrapolated from data at T = 215 K and T = 263 K. 25) tting parameter used in numerical modeling. 26) Kruis and May [1962] claim that Cl2 does not obey Henrys law. Looking at their interpolation formula, however, it seems that this is only because they did not consider the equilibrium Cl2 + H2 O HOCl + HCl. 27) Chameides and Stelson [1992] refer to Jacob [1986] and Chameides [1984] but this value cannot be found there. 28) Data from Table 1 in preprint of the paper. J. Geophys. Res. forgot to print the tables. 29) Fickert [1998] extracted a value for HOBr from wetted-wall ow tube experiments. However, it was later discovered that under the experimental conditions no evaluation of kH is possible (J. Crowley, pers. comm., 1999). 30) As quoted by Kruis and May [1962]. 31) Dubik et al. [1987] measured the solubility in concentrated salt solutions (natural brines).
97
32) This work, using data from Wagman et al. [1982] and the aqueous-phase equilibrium Cl2 + Br2 et al. [1994].
2 BrCl from Wang
33) Calculated by R. Vogt (pers. comm., 1996), using data from Wagman et al. [1982] and the aqueous-phase equilibrium BrCl + Br Br2 Cl from Wang et al. [1994]. 34) Value at T = 290 K. 35) Thompson and Zariou [1983] quote a paper as the source that gives only the solubility but not the Henrys law constant. 36) Gmitro and Vermeulen [1964] give partial pressures of H2 SO4 over a concentrated solution (e.g. 107 mmHg for 70 weight-percent at 298 K). Extrapolating this to dilute solutions can only be considered an order-of-magnitude approximation for kH . 37) Interpolation of the original data at T < 300 K. According to Morrison and Johnstone [1954] the solubility increases at higher temperatures. 38) Value at T = 288 K. 39) Yaws and Yang [1992] give several references for the Henrys law constants but dont assign them to specic species. 40) Hansen et al. [1995] found that the solubility of 2-methylhexane increses with temperature. 41) Value at T = 294 K. 42) Value given here as quoted by Wasik and Tsang [1970]. 43) Karl and Lindinger [1997] also measured solubilities in salt solutions. 44) The value given by Wilhelm et al. [1977] is wrong. 45) Value given here as cited in Dewulf et al. [1995]. 46) This paper supersedes earlier work with more concentrated solutions [Butler et al., 1933]. 47) Value given here as quoted by Hine and Weimar [1965]. 48) Value given here as quoted by Ganey et al. [1987]. 49) Value at T = 303 K. 50) Koga [1995] found that tert-butanol does not obey Henrys law at c > 3.8 mM. 51) Value obtained by Saxena and Hildemann [1996] using the group contribution method. 52) Value at T = 307 K. 53) Value given here as quoted by Hine and Mookerjee [1975]. 54) It is assumed here that the thermodynamic data in Parsons et al. [1971] refers to the units [mol dm3 ] and [atm] as standard states. 55) Value given here as quoted by Lttke and Levsen [1997]. u 56) It is assumed here that the thermodynamic data in Parsons et al. [1972] refers to the units [mol dm3 ] and [atm] as standard states. 57) Saxena and Hildemann [1996] say that this value is unreliable. 58) Value given here as quoted by Mackay et al. [1995]. 59) Jacob [1986] assumes kH (CH3 OO) = kH (CH3 OOH) kH (HO2 )/kH (H2 O2 ). 60) Lelieveld and Crutzen [1991] assume kH (CH3 OO) = kH (HO2 ). 61) Ledbury and Blair [1925] (and also Blair and Ledbury [1925]) measured the solubility of HCHO at very high concentrations around 5 to 15 M. Their value of kH increases with HCHO concentration. Lelieveld and Crutzen [1991], Hough [1991], and Pandis and Seinfeld [1989] all use these solubility data but do not specify how they extrapolated to lower concentrations. Since the concentration range is far away from typical values in atmospheric chemistry the data is not reproduced here. 62) Dong and Dasgupta [1986] found that the Henrys law constant for HCHO is not a true constant but increases with increasing concentration. They recommend the expression [HCHO] = 10(4538/T 11.34) p(HCHO)(252.2/T +0.2088)
98
with [HCHO] = aqueous-phase concentration in [mol/l], p(HCHO) = partial pressure in [atm], and T = temperature in [K]. At T = 298.15 K and a partial pressure of p(HCHO) = 109 atm, for example, this equation results in kH = 2.5103 M/atm. It should be noted that this expression does not converge asymptotically to a constant value at innite dilution. 63) Betterton and Homann [1988] list eective values that take into account hydration of the aldehydes: kH = ([RCHO] + [RCH(OH)2 ])/p(RCHO) 64) The data from Table 1 by Zhou and Mopper [1990] was used to redo the regression analysis. The data for acetone in their Table 2 is wrong. 65) Value given here as quoted by Bone et al. [1983]. 66) The value citet by Betterton [1992] is wrong. 67) Value given here as quoted by Vitenberg et al. [1975]. 68) Value given here as cited in Saxena and Hildemann [1996]. 69) The value given here was measured at a liquid phase volume mixing ratio of 106 . Servant et al. [1991] found that the Henrys law constant changes at higher concentrations. 70) Staudinger and Roberts [1996] give Khan & Brimblecombe as the reference but dont include this paper in their list of references. 71) Pecsar and Martin [1966] is quoted as the source. However, there only activity coecients and no vapor pressures are listed. 72) Kames and Schurath [1992] couldnt assign the values to the isomers. 73) The same data was also published in Fischer and Ballschmiter [1998a]. 74) Value at T = 283 K. 75) The value given by Warneck et al. [1996] is wrong. 76) The value given by Schurath et al. [1996] is wrong. 77) Value at T = 373 K. 78) Value at T = 301 K. 79) Value at T = 287 K. 80) Estimate for R = haloalkylgroup. 81) The same data was also published in McConnell et al. [1975]. 82) Value at T = 275 K. 83) Solubility in sea water. 84) The temperature dependence (after a unit conversion) is given as: kH = exp(8.689 + 205.9/(T 255.1)) 11.7 M/atm This can obviously only be valid for T >> 255.1 K. 85) Kanakidou et al. [1995] assume kH (CClF2 OONO2 ) = kH (PAN). 86) Value at T = 291 K. 87) Calculated molecular structure relationship. 88) Cline and Bates [1983] refer to an unpublished manuscript; no details are available. 89) Value given here as quoted by De Bruyn et al. [1995]. 90) Value given here as quoted by Loomis [1928]. 91) Value given here as quoted by Rasmussen et al. [1982]. 92) Value given here as quoted by Santl et al. [1994]. 93) Value given here as quoted by Dunnivant et al. [1988]. 94) Value at room temperature.
99
10
Acknowledgements
Compiling this data set would not have been possible without the help I received. For valuable discussions and for pointing out additional references to me I would like to thank C. Allen, W. Asman, M. Barth, E. Betterton, S. Clegg, N. Coun, P. J. Crutzen, F. Dentener, D. J. Jacob, H.-W. Jacobi, W. C. Keene, J. Matthijsen, J. Montgomery, R. M. Moore, M. Mozurkewich, F. Mller, O. Pahl, S. Pandis, J. Perlinger, J.-M. Rgimbal, S. E. Schwartz, W. Y. Shiu, T. A. Staelbach, u e G. Tyndall, C. Verlinde, R. Vogt, and P. Warneck.
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Compilation of Henrys Law Constants for Inorganic and Organic Species of Potential Importance in Environmental Chemistry

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

The physical quantity of solubility

where xa = molar mixing ratio in the aqueous phase,

= density of water, and MH2 O = molar mass of water.

kH kH = 101.325 [M/atm] [(molaq /m3 )/Pa] aq

T kH cc = 12.2 kH [K] [M/atm]

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

At T = 298.15 K this leads to:

How to use the Tables

Further Sources of Information

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

Data Table (Inorganic)

hydroperoxy radical HO2 [3170-83-0]

hydrogen peroxide H2 O2 [7722-84-1]

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

nitrogen N2 [7727-37-9] nitrogen monoxide NO (nitric oxide) [10102-43-9]

nitrogen dioxide NO2 [10102-44-0]

nitrogen trioxide NO3 (nitrate radical) [12033-49-7]

2500 2000 1900 2000

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

4800 4800 4700 4900 4900

nitric acid HNO3 [7697-37-2]

pernitric acid HNO4 [26404-66-0]

8700 8700 8700 8700 0 6900

Brimblecombe and Clegg [1989]

Wilhelm et al. [1977]

Wilhelm et al. [1977]

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

2000 9000 600 9000

hypochlorous acid HOCl [7790-92-3]

Holzwarth et al. [1984]

Holzwarth et al. [1984]

Holzwarth et al. [1984]

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

[K] 10000 6100 370 10000

Sander and Crutzen [1996]

bromine chloride BrCl [13863-41-7]

bromine atom Br [10097-32-2]

3600 4100 3900 4000 4100 3300 3700

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

4600 4800 4400 2300

Wagman et al. [1982]

Wagman et al. [1982]

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

sulfur dioxide SO2 [7446-09-5]

Gmitro and Vermeulen [1964]

Wilhelm et al. [1977]

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

Wilhelm et al. [1977]

Wilhelm et al. [1977]

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

Data Table (Organic)

alkanes (C and H only)

1700 1900 1600 1800

Yaws and Yang [1992]

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

substance hexane C6 H14

3700 3700 -3600 -3500

Yaws and Yang [1992]

Yaws and Yang [1992]

R. Sander: Henrys law constants (http://www.mpch-mainz.mpg.de/~sander/res/henry.html)

Henry's Law Constants

Henry's Law Constants