* List of the henry's law constant * ---------------------------------- * * this file is read up to the keyword END. * Comment line (* as first character) can be placed * everywhere in the file. * * format of the file is free, but first column (chemical formula) * must be separate from the henry data by ":". Data after * the ";" are not read. * Temporary set of constants, taken from Sander, 1996 * * given constants are in M/atm *********************************************************************** *C1 *name : H(logM/atm DeltaH(J/mol) ; source or comments *CH2O : 3004. 30000 -100 ; Moller & Mauersberger,1992 *CHO(OH) : 8900. 0 -100 ; Johnson et al, 1996 *CH4 : 1.4E-03 0 -100 ; Lide & Frederikse,1995 *CHO(ONO2) : 1.8E+04 0 -100 ; estimated with GROMHE *CHO(OOH) : 8.95E+06 0 -100 ; estimated with GROMHE *CHO(OONO2) : 5.08E+06 0 -100 ; estimated with GROMHE *CO : 9.90E-04 0 -100 ; Lide & Frederikse,1995 *CO2 : 3.58E-02 0 -100 ; Lide & Frederikse,1995 * Structure Kh (M/atm) * *Hydrocarbures-------------------- * CH3CH3 : 1.9E-03 2300 -100 ; L Lide and Frederikse, 1995 CH3CH2CH3 : 1.5E-03 2700 -100 ; L Lide and Frederikse, 1995 CH3CH2CH2CH3 : 1.1E-03 3100 -100 ; L Mackay and Shiu [1981] CH3C(CH3)(CH3)CH3 : 2.7E-04 3400 -100 ; L Mackay and Shiu [1981] CH3CH(CH3)CH3 : 8.4E-04 2700 -100 ; L Mackay and Shiu [1981] CH3CH(CH3)CH2CH3 : 7.3E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CH2CH3 : 8.1E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH(CH3)CH2CH2CH3 : 6.0E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH(CH3)CH2CH3 : 5.9E-04 0 -100 ; L Mackay and Shiu [1981] CH3C(CH3)(CH3)CH2CH3 : 5.9E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH(CH3)CH(CH3)CH3 : 7.8E-04 0 -100 ; L Mackay and Shiu [1981] CH3C(CH3)(CH3)CH2CH2CH3 : 3.2E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH(CH3)CH(CH3)CH2CH3 : 5.8E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH(CH3)CH2CH(CH3)CH3 : 3.4E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CH2CH2CH2CH2CH3 : 3.4E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH(CH3)CH2CH2CH2CH3 : 2.7E-04 0 -100 ; L Mackay and Shiu [1981] CH3C(CH3)(CH3)CH2CH(CH3)CH3 : 3.1E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH(CH3)CH(CH3)CH(CH3)CH3 : 5.3E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CH2CH2CH2CH2CH2CH3 : 2.0E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CH(CH3)CH2CH2CH2CH3 : 1.0E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CH2CH2CH2CH2CH2CH2CH3 : 1.4E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH3 : 1.4E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CH2CH2CH2CH3 : 1.2E-03 3700 -100 ; L Hansen et al [1995] CH3CH2CH2CH2CH2CH3 : 6.0E-04 0 -100 ; L Mackay and Shiu [1981] CH3CH(CH3)CH2CH2CH2CH3 : 1.9E-03 -3600 -100 ; M Hansen, Zhou, et al., 1995 C1H2CH2C1H2 : 1.1E-02 1700 -100 ; L Wilhelm et al. [1977] C1H2CH2CH2CH2C1H2 : 6.6E-03 3400 -100 ; M Hansen et al. [1995] C1H(CH3)CH2CH2CH2C1H2 : 2.8E-03 0 -100 ; L Mackay and Shiu [1981] C1H(CH3)CH2CH2CH2CH2C1H2 : 9.7E-03 9400 -100 ; M Hansen et al. [1995] C1H(CH3)CH(CH3)CH2CH2CH2C1H2 : 2.8E-03 0 -100 ; L Mackay and Shiu [1981] C1H(CH3)CH2CH2CH(CH3)CH2C1H2 : 1.1E-03 0 -100 ; L Mackay and Shiu [1981] C1(CH3)(CH3)CH2CH(CH3)CH2C1H2 : 6.4E-04 0 -100 ; L Mackay and Shiu [1981] C1H(CH2CH2CH3)CH2CH2CH2C1H2 : 1.1E-03 0 -100 ; L Mackay and Shiu [1981] C1H(CH2CH2CH2CH2CH3)CH2CH2CH2C1H2 : 5.5E-04 0 -100 ; L Mackay and Shiu [1981] C1H2CH2CH2CH2CH2CH2C1H2 : 1.08E-02 0 -100 ; EPI C1H(CH2CH3)CH2CH2CH2CH2C1H2 : 3.33E-03 0 -100 ; EPI * CdH2=CdH2 : 4.7E-03 1800 -100 ; L Wilhelm, Battino, et al., 1977 CH3CdH=CdH2 : 4.8E-03 3400 -100 ; L Mackay and Shiu [1981] CH3CH2CdH=CdH2 : 1.4E-03 0 -100 ; L Mackay and Shiu [1981] CH3Cd(CH3)=CdH2 : 1.6E-03 3000 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CdH=CdH2 : 2.5E-03 0 -100 ; L Mackay and Shiu [1981] CH3CH(CH3)CdH=CdH2 : 1.9E-03 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CH2CdH=CdH2 : 2.4E-03 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2Cd(CH3)=CdH2 : 3.6E-03 0 -100 ; L Mackay and Shiu [1981] CH3CH(CH3)CH2CdH=CdH2 : 1.6E-03 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CH2CdH=CdHCH3 : 2.4E-03 0 -100 ; L Mackay and Shiu [1981] CH3CH2CH2CH2CH2CH2CdH=CdH2 : 1.1E-03 0 -100 ; L Mackay and Shiu [1981] CdH2=CdHCdH=CdH2 : 1.4E-02 4500 -100 ; L Wilhelm, Battino, et al., 1977 CdH2=CdHCd(CH3)=CdH2 : 2.8E-02 0 -100 ; M Karl and Lindinger, 1997 CdH2=CdHCH2CdH=CdH2 : 8.4E-03 0 -100 ; L Mackay and Shiu [1981] C1H2CdH=CdHCH2CH2C1H2 : 2.6E-02 0 -100 ; M Nielsen, Olsen, et al., 1994 C1H2CdH=CdHCH2CdH=C1dH : 1.0E-01 0 -100 ; EPI C1H2CH2CdH=CdHC1H2 : 1.6E-02 0 -100 ; EPI CdH2=CdHCd(=CdH2)CH2CH2CdH=Cd(CH3)CH3 : 1.6E-02 0 -100 ; EPI C1H(CdH=CdH2)CH2CH2CdH=CdHC1H2 : 2.2E-02 0 -100 ; EPI c1HcHcHcHcHc1H : 2.1E-01 3600 -100 ; M Dewulf, Drijvers, et al., 1995 c1(CH2CH3)cHcHcHcHc1H : 1.5E-01 4600 -100 ; M Robbins, Wang, et al., 1993 c1(CH3)cHc(CH3)cHcHc1H : 1.6E-01 4000 -100 ; M Dewulf, Drijvers, et al., 1995 c1(CH3)cHcHcHcHc1H : 1.8E-01 4100 -100 ; M Dewulf, Drijvers, et al., 1995 c1(CH2CH3)c(CH2CH3)cHcHcHc1H : 3.8E-01 0 -100 ; M EPI c1(CH3)c(CH3)cHcHcHc1H : 2.5E-01 4200 -100 ; M Dewulf, Drijvers, et al., 1995 c1(CH3)cHcHc(CH3)cHc1H : 1.7E-01 4500 -100 ; M Dewulf, Drijvers, et al., 1995 c1(CH3)c(CH3)cHc(CH3)cHc1H : 1.5E-01 4300 -100 ; M Hansen et al. [1995] c1(CH2CH2CH3)cHcHcHcHc1H : 1.4E-01 0 -100 ; L Mackay and Shiu [1981] c1(CH(CH3)CH3)cHcHcHcHc1H : 7.8E-01 0 -100 ; L Mackay and Shiu [1981] c1(CH2CH3)c(CH3)cHcHcHc1H : 2.4E-01 0 -100 ; L Mackay and Shiu [1981] c1(CH2CH2CH3)c(CH3)cHcHcHc1H : 3.1E-02 0 -100 ; L Mackay and Shiu [1981] c1(C(CH3)(CH3)CH2CH3)cHcHcHcHc1H : 8.4E-02 0 -100 ; L Mackay and Shiu [1981] c1(CH(CH3)CH3)cHcHc(CH3)cHc1H : 1.3E-01 0 -100 ; L Mackay and Shiu [1981] c1(CH2CH2CH2CH2CH3)cHcHcHcHc1H : 1.7E-01 0 -100 ; L Mackay and Shiu [1981] c1(CdH=CdH2)cHcHcHcHc1H : 3.6E-01 0 -100 ; EPI c1(CH2CH2CH2CH3)cHcHcHcHc1H : 6.3E-02 0 -100 ; EPI c1(CH(CH3)CH2CH3)cHcHcHcHc1H : 5.7E-02 0 -100 ; EPI c1(CH3)c(CH3)c(CH3)cHcHc1H : 2.3E-01 0 -100 ; EPI c1(CH3)c(CH(CH3)CH3)cHcHcHc1H : 8.8E-02 0 -100 ; EPI c1(CdH=CdH2)cHcHc(CH3)cHc1H : 3.2E-01 0 -100 ; EPI c1HcHcHcHc2cHcHcHcHc12 : 2.27 0. -100 ; EPI * *Alcools------------------------- CH3CdH=CdHCH2(OH) : 3.03E+02 0 -100 ; Halil et al., 2008 CH3C(OH)(CH3)CdH=CdH2 : 6.48E+01 0 -100 ; Halil et al., 2008 CH3(OH) : 2.2E+02 5200 -100 ; Snider and Dawson, 1985 CH3CH2(OH) : 1.9E+02 6600 -100 ; M Snider and Dawson, 1985 CH3CH2CH2(OH) : 1.3E+02 7500 -100 ; M Snider and Dawson, 1985 CH3CH(OH)CH3 : 1.3E+02 7500 -100 ; M Snider and Dawson, 1985 CH3CH2CH2CH2(OH) : 1.3E+02 7200 -100 ; M Snider and Dawson, 1985 CH3CH(CH3)CH2(OH) : 1.0E+02 0 -100 ; M Snider and Dawson, 1985 CH3CH2CH(OH)CH3 : 1.1E+02 7300 -100 ; M Snider and Dawson, 1985 CH3C(OH)(CH3)CH3 : 7.0E+01 8300 -100 ; M Snider and Dawson, 1985 CH3CH2C(OH)(CH3)CH3 : 7.3E+01 0 -100 ; M Butler, Ramchandani, et al., 1935 CH3CH2CH2CH2CH2(OH) : 7.7E+01 0 -100 ; M Butler, Ramchandani, et al., 1935 CH3CH2CH2CH(OH)CH3 : 6.8E+01 0 -100 ; M Butler, Ramchandani, et al., 1935 CH3CH2CH2CH2CH2CH2(OH) : 5.9E+01 0 -100 ; M Buttery, Ling, et al., 1969 CH3CH2CH(CH3)CH2(OH) : 7.1E+01 0 -100 ; M Butler, Ramchandani, et al., 1935 CH3CH2CH2CH2CH2CH2CH2CH2(OH) : 4.0E+01 0 -100 ; M Buttery, Ling, et al., 1969 CH3CH2CH(OH)CH2CH3 : 5.0E+01 0 -100 ; M EPI CH3CH(CH3)CH(OH)CH3 : 5.7E+01 0 -100 ; M EPI CH3CH2CH2CH2CH(OH)CH3 : 4.1E+01 0 -100 ; M EPI CH3CH2CH2CH(OH)CH2CH3 : 2.5E+01 0 -100 ; M EPI CH3CH2CH2CH(CH3)CH2(OH) : 2.3E+01 0 -100 ; M EPI CH3CH2CH2C(OH)(CH3)CH3 : 2.8E+01 0 -100 ; M EPI CH3CH(CH3)CH2CH2(OH) : 7.1E+01 0 -100 ; M EPI - Butler et al., 1935 CH3CH(CH3)CH2CH(OH)CH3 : 2.2E+01 0 -100 ; M EPI - Hine, J & Mookerjee, PK 1975 CH3CH2CH(CH2CH3)CH2(OH) : 1.9E+01 0 -100 ; M EPI CH3CH2CH2CH2CH2CH2CH2(OH) : 5.3E+01 0 -100 ; M EPI - Butler et al., 1935 CH3CH2CH2CH2CH2CH(OH)CH3 : 1.8E+01 0 -100 ; M EPI CH3CH2CH2CH2CH(OH)CH2CH3 : 3.5E+01 0 -100 ; M EPI CH3CH2CH2CH2CH2CH2CH(OH)CH3 : 8.1E+00 0 -100 ; M EPI - Bocek, K 1976 CH3CH2CH2CH2CH(CH2CH3)CH2(OH) : 3.8E+01 0 -100 ; M EPI CH3CH2CH2CH2CH2CH2CH2CH2CH2(OH) : 3.2E+01 0 -100 ; M EPI CH3CH2CH2CH2CH2CH2CH2CH(OH)CH3 : 2.0E+01 0 -100 ; M EPI CH3CH(CH3)CH2CH(OH)CH2CH(CH3)CH3 : 7.7E+00 0 -100 ; M EPI CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2(OH) : 3.1E+01 0 -100 ; M EPI - Altschuh, J et al 1999 CH3CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2CH2(OH) : 4.5E+01 0 -100 ; M EPI - Altschuh, J et al 1999 CH3C(CH3)(CH3)CH2(OH) : 1.9E+01 0 -100 ; EPI CH3CH2C(OH)(CH3)CH2CH3 : 5.7E+01 0 -100 ; EPI CdH2=CdHCH2(OH) : 2.0E+02 0 -100 ; EPI - Hine, J & Mookerjee, PK 1975 C1H(OH)CH2CH2CH2CH2C1H2 : 2.3E+02 0 -100 ; EPI - Altschuh, J et al 1999 C1H(OH)CH(CH3)CH2CH2CH2C1H2 : 1.3E+02 0 -100 ; EPI - Altschuh, J et al 1999 C1H(OH)CH2CH(CH3)CH2CH2C1H2 : 2.7E+02 0 -100 ; EPI - Altschuh, J et al 1999 c1(CH2CH2(OH))cHcHcHcHc1H : 3.9E+03 0 -100 ; EPI - Abraham, MH et al 1994 c1(CH2(OH))cHcHcHcHc1H : 3.0E+03 0 -100 ; EPI - Abraham, MH et al 1994 c12cHcHcHcHc1cHcHcHc2(OH) : 1.75E+04 0 -100 ; EPI - Abraham, MH et al 1994 c1(OH)cHc(CH3)c(CH3)cHc1H : 2.4E+03 0 -100 ; EPI - Abraham, MH et al 1994 c1(OH)c(CH3)cHcHc(CH3)c1H : 8.9E+02 0 -100 ; EPI - Abraham, MH et al 1994 c1(OH)c(CH2CH3)cHcHcHc1H : 2.2E+02 0 -100 ; EPI c1(OH)c(CH3)cHc(CH3)cHc1H : 1.1E+03 0 -100 ; EPI - Abraham, MH et al 1994 c1(OH)cHc(CH3)cHc(CH3)c1H : 1.6E+03 0 -100 ; EPI - Abraham, MH et al 1994 c1(OH)cHcHc(CH2CH3)cHc1H : 1.3E+03 0 -100 ; EPI - Abraham, MH et al 1994 c1(OH)c(CH3)c(CH3)cHcHc1H : 1.4E+03 0 -100 ; EPI - Abraham, MH et al 1994 c1(OH)c(CH3)cHc(CH3)cHc1(CH3) : 3.8E+02 0 -100 ; EPI c1(OH)c(CH3)cHcHcHc1(CH3) : 1.5E+02 0 -100 ; EPI - Hawthorne, SB et al 1985 c1(OH)cHcHc(CH2CH2CH3)cHc1H : 8.8E+02 0 -100 ; EPI - Abraham, MH et al 1994 c1(OH)cHc(CH2CH3)cHc(CH3)c1H : 1.5E+03 0 -100 ; EPI c1(OH)c(CH(CH3)CH3)cHcHc(CH3)c1H : 2.07E+03 0 -100 ; EPI c1(OH)cHc(CH2CH3)cHcHc1H : 1.59E+03 0 -100 ; EPI - Abraham, MH et al 1994 c1(OH)cHcHcHcHc1H : 3.00E+03 0 -100 ; EPI - Gaffney, JS et al 1987 * * hydroperoxydes CH3(OOH) : 3.1E+02 5300 -100 ; O'Sullivan et al., 1996 CH3CH2(OOH) : 3.4E+02 6000 -100 ; O'Sullivan et al., 1996 * *Ethers------------ *CH3CH(CH3)CH2-O-CdH=CdH2 : 2.58E-01 0 -100 ; Modarressi QSPR in Halil 2008 CH3CH(CH3)-O-CH(CH3)CH3 : 4.9E-01 0 -100 ; M Nielsen, Olsen, et al., 1994 CH3CH2CH2-O-CH2CH2CH3 : 2.3E-01 8900 -100 ; M Hartkopf and Karger, 1973 CH3CH2-O-CH2CH3 : 1.2E+00 0 -100 ; M Nielsen, Olsen, et al., 1994 CH3C(CH3)(CH3)-O-CH3 : 1.6E+00 7700 -100 ; M Robbins, Wang, et al., 1993 CdH2=CdH-O-CH2CH3 : 1.9E-01 0 -100 ; EPI CdH2=CdH-O-CdH=CdH2 : 1.2E-01 0 -100 ; EPI CdH2=CdH-O-CH2CH2CH2CH3 : 4.6E-01 0 -100 ; EPI CH3CH2CH2CH2-O-CH2CH2CH2CH3 : 1.7E-01 0 -100 ; EPI - Hine, J & Mookerjee, PK 1975 CH3CH(CH3)CH2CH2-O-CH2CH2CH(CH3)CH3 : 6.8E-01 0 -100 ; EPI CH3-O-CH2CH2CH3 : 6.7E-01 0 -100 ; EPI CH3-O-CH(CH3)CH3 : 1.1E+00 0 -100 ; EPI CH3CH2CH2-O-CH(CH3)CH3 : 4.1E-01 0 -100 ; EPI CH3-O-CH2CH2CH2CH3 : 5.6E-01 0 -100 ; EPI CH3CH2-O-CH2CH2CH3 : 8.8E-01 0 -100 ; EPI CH3CH2-O-C(CH3)(CH3)CH2CH3 : 5.2E-02 0 -100 ; EPI *CH3-O-C(CH3)(CH3)CH3 : 1.7E+00 0 -100 ; EPI CH3-O-CH(CH3)CH2CH3 : 6.8E-01 0 -100 ; EPI c1(-O-CH2CH3)cHcHcHcHc1H : 2.3E+00 0 -100 ; EPI *c1HcHcHcHcHc1-O-c2cHcHcHcHc2H : 3.6E+00 0 -100 ; EPI * *Carbonyles---- * value below for formaldehyde is for he true H (no hydration) *CH2O : 2.5E+00 6500 -100 ; M Zhou and Mopper, 1990 CH3CHO : 1.4E+01 5600 0.00 ; L Staudinger and Roberts, 1996 CH3CH2CHO : 1.3E+01 5700 -0.10 ; M Zhou and Mopper, 1990 CH3CH2CH2CHO : 9.6E+00 6200 -0.14 ; M Zhou and Mopper, 1990 CH3CH2CH2CH2CHO : 6.4E+00 6300 -0.14 ; M Zhou and Mopper, 1990 CH3CH2CH2CH2CH2CHO : 4.9E+00 6500 -0.14 ; M Zhou and Mopper, 1990 CH3CH2CH2CH2CH2CH2CHO : 3.3E+00 7500 -0.14 ; M Zhou and Mopper, 1990 CH3CH2CH2CH2CH2CH2CH2CHO : 2.1E+00 7400 -0.14 ; M Zhou and Mopper, 1990 CH3CH2CH2CH2CH2CH2CH2CH2CHO : 1.0E+00 6700 -0.14 ; M Zhou and Mopper, 1990 CH3CH2CH2CH2CH2CH2CH2CH2CH2CHO : 6.1E-01 8700 -0.14 ; M Zhou and Mopper, 1990 CdH2=CdHCHO : 7.4E+00 5100 -100 ; M Snider and Dawson [1985] CdH2=Cd(CH3)CHO : 6.5E+00 0 -100 ; M Iraci et al. [1998 *CH3CdH=CdHCHO : 5.2E+01 0 -100 ; M Buttery et al. [1969] *CH3CH2CH2CdH=CdHCHO : 2.0E+01 0 -100 ; M Buttery et al. [1971] *CH3CdH=CdHCdH=CdHCHO : 1.0E+02 0 -100 ; M Buttery et al. [1971] *CH3CH2CH2CH2CH2CdH=CdHCHO : 1.3E+01 0 -100 ; M Buttery et al. [1971] CH3COCH3 : 3.0E+01 4600 -100 ; M Staudingers and Roberts 1996 CH3CH2COCH3 : 2.0E+01 5000 -100 ; M Staudingers and Roberts 1996 CH3CH2CH2COCH3 : 1.6E+01 0 -100 ; M Buttery et al. [1971] CH3CH2CH2CH2CH2COCH3 : 7.0E+00 0 -100 ; M Buttery et al. [1971] CH3CH2CH2CH2CH2CH2COCH3 : 5.4E+00 0 -100 ; M Buttery et al. [1971] CH3CH2CH2CH2CH2CH2CH2COCH3 : 2.7E+00 0 -100 ; M Buttery et al. [1971] CH3CH2CH2CH2CH2CH2CH2CH2CH2COCH3 : 1.6E+00 0 -100 ; M Buttery et al. [1971] CH3COCdH=CdH2 : 4.1E+01 0 -100 ; M EPI CH3COC(CH3)(CH3)CH3 : 4.6E+00 0 -100 ; EPI C1(CH3)(CH3)CH2COCdH=Cd(CH3)C1H2 : 1.5E+02 0 -100 ; EPI C1H2CH2COCH2CH2C1H2 : 1.11E+02 0 -100 ; EPI C1H2CH2COCH2C1H2 : 1.00E+02 0 -100 ; EPI CH3CH2COCH2CH3 : 1.1E+01 0 -100 ; EPI CH3CH2CH2CH2CH(CH2CH3)CHO : 1.32E+00 0 -100 ; EPI CH3CH2CH2COCH2CH2CH3 : 1.82E+01 0 -100 ; EPI CH3Cd(CH3)=CdHCOCH3 : 2.72E+01 0 -100 ; EPI CH3CH(CH3)COCH3 : 1.03E+01 0 -100 ; EPI CH3CH2CH(CH3)COCH3 : 1.37E+01 0 -100 ; EPI CH3CH2COCH(CH3)CH3 : 6.49E+00 0 -100 ; EPI CH3CH(CH3)COCH(CH3)CH3 : 2.83E+00 0 -100 ; EPI c1(CHO)cHcHcHcHc1H : 4.2E+01 4600 -100 ; M Zhou and Mopper, 1990 c1(COCH3)cHcHcHcHc1H : 1.1E+02 6000 -100 ; M Betterton [1991] * *Acides----------------- CH3CO(OH) : 4.1E+03 6300 -100 ; M Johnson, Betterton, et al., 1996 CH3CH2CO(OH) : 5.7E+03 0 -100 ; M Khan, Brimblecombe, et al., 1995 CH3CH2CH2CO(OH) : 4.7E+03 0 -100 ; M Khan, Brimblecombe, et al., 1995 CH3CH(CH3)CO(OH) : 1.1E+03 0 -100 ; M Khan, Brimblecombe, et al., 1995 CH3CH2CH2CH2CO(OH) : 2.2E+03 6583 -100 ; M Khan, Brimblecombe, et al., 1995 CH3CH2CH2CH2CH2CO(OH) : 1.4E+03 6304 -100 ; M Khan, Brimblecombe, et al., 1995 CH3CH(CH3)CH2CO(OH) : 1.2E+03 0 -100 ; M Khan, Brimblecombe, et al., 1995 CH3C(CH3)(CH3)CO(OH) : 3.5E+02 0 -100 ; M Khan, Brimblecombe, et al., 1995 CdH2=Cd(CH3)CO(OH) : 2.6E+03 0 -100 ; M Khan, Brimblecombe, et al., 1995 CdH2=CdHCO(OH) : 2.7E+03 0 -100 ; EPI CH3CH2CH(CH2CH3)CO(OH) : 6.3E+02 0 -100 ; EPI CH3CdH=CdHCO(OH) : 1.50E+04 0 -100 ; EPI c1HcHcHcHcHc1CdH=CdHCO(OH) : 5.85E+04 0 -100 ; EPI c1HcHcHcHcHc1CO(OH) : 2.6E+04 0 -100 ; EPI c1(CH2CO(OH))cHcHcHcHc1H : 2.4E+04 0 -100 ; EPI CH3CO(OOH) : 8.4E+02 5300 -100 ; M O'Sullivan et al 1996 * *Esters---------- CdH2=Cd(CH3)CO-O-CH3 : 2.83E+00 0 -100 ; Halil et al 2008 CdH2=Cd(CH3)CO-O-CH2CH3 : 1.63E+00 0 -100 ; Halil et al 2008 *CH3CH2CH2CH2CH(CH2CH3)CH2-O-COCdH=CdH2 : 2.25E+00 0 -100 ; Halil et al 2008 CH3CH(CH3)CH2-O-COCd(CH3)=CdH2 : 1.83E+00 0 -100 ; Halil et al 2008 CH3CO-O-CdH=CdH2 : 1.70E+00 0 -100 ; Halil et al 2008 *CH3CO-O-CH2CdH=CdH2 : 7.15E+00 0 -100 ; Halil et al 2008 CH3CO-O-CH3 : 7.8E+00 5000 -100 ; M Kieckbusch and King, 1979 CH3CO-O-CH2CH3 : 5.9E+00 5300 -100 ; M Kieckbusch and King, 1979 CH3CH2CO-O-CH3 : 5.8E+00 0 -100 ; M Buttery, Ling, et al., 1969 CH3CO-O-CH2CH2CH3 : 4.6E+00 5500 -100 ; M Kieckbusch and King, 1979 CH3CH2CH2CO-O-CH3 : 4.8E+00 0 -100 ; M Buttery, Ling, et al., 1969 CH3CO-O-CH2CH2CH2CH3 : 3.6E+00 6000 -100 ; M Kieckbusch and King, 1979 CHO-O-CH3 : 4.1E+00 3800 -100 ; M Hartkopf and Karger [1973] CH3CH2CH2CH2CO-O-CH3 : 3.1E+00 0 -100 ; M Buttery et al. [1969] CH3CH2CH2CH2CH2CO-O-CH3 : 2.7E+00 0 -100 ; M Buttery et al. [1969] CH3CH2CH2CH2CH2CH2CH2CO-O-CH3 : 1.3E+00 0 -100 ; M Buttery et al. [1969] CHO-O-CH2CH2CH3 : 2.3E+00 0 -100 ; M EPI CHO-O-CH2CH2CH2CH3 : 1.9E+00 0 -100 ; M EPI CHO-O-CH2CH3 : 2.6E+00 4300 -100 ; V EP1 & Hartkopf and karger 1973 CdH2=CdHCO-O-CH3 : 5.1E+00 0 -100 ; EPI CH3CH2CO-O-CH2CH3 : 4.0E+00 0 -100 ; EPI CH3CH2CH2CO-O-CH2CH2CH3 : 1.6E+00 0 -100 ; EPI CH3CH2CH2CH2CH2CH2CO-O-CH2CH3 : 2.0E+00 0 -100 ; EPI - Hine, J & Mookerjee, PK 1975 CH3CH(CH3)CO-O-CH2CH(CH3)CH3 : 1.2E+00 0 -100 ; EPI CdH2=Cd(CH3)CO-O-CH2CH2CH2CH3 : 2.0E+00 0 -100 ; EPI CH3CH2CH2CO-O-CH2CH2CH2CH3 : 1.5E+00 0 -100 ; EPI CH3CH2CO-O-CH2CH2CH3 : 2.5E+00 0 -100 ; EPI CdH2=CdHCO-O-CH2CH(CH3)CH3 : 1.3E+00 0 -100 ; EPI CH3CO-O-COCH3 : 1.8E+02 0 -100 ; EPI CH3CH(CH3)CH2CO-O-CH2CH3 : 1.4E+00 0 -100 ; EPI CH3CO-O-CH2CH2CH(CH3)CH3 : 1.7E+00 0 -100 ; EPI - Hine, J & Mookerjee, PK 1975 CdH2=CdHCO-O-CH2CH3 : 2.9E+00 0 -100 ; EPI CdH2=CdHCO-O-CH2CH2CH2CH3 : 2.2E+00 0 -100 ; EPI CH3CH2CH2CH2CO-O-CH2CH3 : 2.7E+00 0 -100 ; EPI CH3C(CH3)(CH3)CO-O-CH3 : 2.4E+00 0 -100 ; EPI - Abraham, MH et al 1994 CH3CH2CO-O-CH2CH2CH2CH2CH3 : 1.2E+00 0 -100 ; EPI CH3CO-O-CH2CH2CH2CH2CH3 : 2.6E+00 0 -100 ; EPI - Taft, RW et al 1985 CdH2=CdHCO-O-CH2CH(CH2CH3)CH2CH2CH2CH3 : 2.3E+00 0 -100 ; EPI c1HcHcHcHcHc1CO-O-CH2CH2CH2CH3 : 2.5E+01 0 -100 ; EPI c1(CO-O-CH2CH3)cHcHcHcHc1H : 1.4E+01 0 -100 ; EPI *C1H2CO-O-CH2C1H2 : 1.90E+04 0 -100 ; EPI c1Hc2CO-O-COc2cHcHc1H : 6.13E+04 0 -100 ; EPI * *Nitrates et nitro-------- CH3(ONO2) : 2.0E+00 4700 -100 ; M Kames and Schurath [1992] CH3CH2(ONO2) : 1.6E+00 5400 -100 ; M Kames and Schurath [1992] CH3CH2CH2(ONO2) : 7.9E-01 5500 -100 ; M Hauff et al. [1998] CH3CH(ONO2)CH3 : 6.2E-01 5400 -100 ; M Hauff et al. [1998] CH3CH2CH2CH2(ONO2) : 6.5E-01 5800 -100 ; M Hauff et al. [1998] CH3CH(ONO2)CH2CH3 : 4.4E-01 5400 -100 ; M Hauff et al. [1998] CH3C(ONO2)(CH3)CH3 : 7.0E-01 5200 -100 ; M Kames and Schurath [1992] CH3CH2CH2CH2CH2(ONO2) : 6.0E-01 0 -100 ; M Hauff et al. [1998] CH3CH(ONO2)CH2CH2CH3 : 3.4E-01 6300 -100 ; M Hauff et al. [1998] CH3CH(CH3)CH2CH2(ONO2) : 4.5E-01 0 -100 ; M Hauff et al. [1998] CH3CH2CH2CH2CH2CH2(ONO2) : 6.7E-01 0 -100 ; M Hauff et al. [1998] CH3CH2CH(ONO2)CH2CH3 : 3.6E-01 0 -100 ; M EPI : Hauff et al. [1998] CH3(NO2) : 4.5E+01 0 -100 ; M Rohrschneider [1973] CH3CH2(NO2) : 2.1E+01 0 -100 ; EPI : Gaffney, JS et al 1987 CH3CH(NO2)CH3 : 8.4E+00 0 -100 ; EPI CH3CH2CH2(NO2) : 1.1E+01 0 -100 ; EPI : Hine, J & Mookerjee, PK 1975 c1(CH3)c(NO2)cHcHcHc1H : 8.0E+01 0 -100 ; EPI : Altschuh, J et al 1999 * *PAN CH3CO(OONO2) : 4.1E+00 6500 -100 ; M Kames and Schurath [1995] CH3CH2CO(OONO2) : 2.9E+00 0 -100 ; M Kames and Schurath [1995] CH3CH2CH2CO(OONO2) : 2.3E+00 0 -100 ; M Kames and Schurath [1995] CdH2=Cd(CH3)CO(OONO2) : 1.7E+00 0 -100 ; M Kames and Schurath [1995] CH3CH(CH3)CO(OONO2) : 1.0E+00 0 -100 ; M Kames and Schurath [1995] * *Multi *CH2(Cl)CH2-O-CdH=CdH2 : 1.10E-01 0 -100 ; Halil et al., 2008 *CH3Cd(CHO)=CdH2 : 4.28E+00 0 -100 ; Halil et al., 2008 *CHOCdH=CdH2 : 8.16E+00 0 -100 ; Halil et al., 2008 *C(F)(F)(F)CH(OH)C(F)(F)(F) : 2.35E+01 0 -100 ; Halil et al., 2008 CH2(Cl)CH(OH)CH2(Cl) : 5.78E+02 0 -100 ; Halil et al., 2008 *CH3CH2CH2CH2-O-COCH(OH)CH3 : 3.56E+02 0 -100 ; Halil et al., 2008 CH3CH(CH3)-O-CH2CH2(OH) : 1.05E+03 0 -100 ; Halil et al., 2008 CH3CH2CH2CH(OH)CH(CH2(OH))CH2CH3 : 6.94E+04 0 -100 ; Halil et al., 2008 CH2(OH)CH2CH2CH2CH2(OH) : 4.00E+06 0 -100 ; Halil et al., 2008 CH2(OH)CH2CH2CH2(OH) : 1.83E+06 0 -100 ; Halil et al., 2008 CH2(OH)CH2CH2(OH) : 9.16E+05 0 -100 ; Halil et al., 2008 CH3COCH2(NO2) : 1.00E+03 0 1.70 ; Halil et al., 2008 CH3CH(OH)CH2(NO2) : 1.10E+04 0 -100 ; Halil et al., 2008 CH3CH2CH(NO2)CH2(OH) : 6.05E+03 0 -100 ; Halil et al., 2008 CH3CH(OH)CH(NO2)CH3 : 1.00E+04 0 -100 ; Halil et al., 2008 CH3CH(NO2)CH2(OH) : 4.48E+03 0 -100 ; Halil et al., 2008 CH2(OH)CH2(NO2) : 4.00E+04 0 -100 ; Halil et al., 2008 *CH3COCH2COCH3 : 2.90E+02 0 1.24 ; Halil et al., 2008 CH3-O-CH2CH(CH3)-O-COCH3 : 2.76E+02 0 -100 ; Halil et al., 2008 CH2(OH)CH2CH2-O-CH2CH2(OH) : 3.10E+06 0 -100 ; Halil et al., 2008 *CH2(OH)CH2(OH) : 5.27E+05 0 -100 ; Halil et al., 2008 CH3CH2CH2CH2-O-CH2CH2(OH) : 1.59E+03 0 -100 ; Halil et al., 2008 CH3Cd(CH3)=CdHCH2CH2C(OH)(CH3)CdH=CdH2 : 4.48E+01 0 -100 ; Halil et al., 2008 CH3CH2CH2-O-CH2CH2(OH) : 2.05E+03 0 -100 ; Halil et al., 2008 *CH3COCdH=Cd(CH3)CH3 : 1.87E+01 0 -100 ; Halil et al., 2008 CH3COCH2CH(CH3)-O-CH3 : 4.92E+02 0 0.58 ; Halil et al., 2008 *CH3CO-O-CH2CH2-O-CH2CH2CH2CH3 : 1.26E+02 0 -100 ; Halil et al., 2008 *CH3CH2-O-COCH2CO-O-CH2CH3 : 3.91E+02 0 -100 ; Halil et al., 2008 CO(OH)CH2CH2CH2CO(OH) : 1.91E+08 0 -100 ; Halil et al., 2008 *CH3CH2CH2-O-CH2CH2(OH) : 2.05E+03 0 -100 ; Halil et al., 2008 CH3CH2-O-CH2CH2(OH) : 3.32E+03 0 -100 ; Halil et al., 2008 CH3-O-CH2CH2(OH) : 3.73E+03 0 -100 ; Halil et al., 2008 *CH3COCH2C(CH3)(CH3)-O-CH3 : 4.92E+02 0 0.58 ; Halil et al., 2008 CH2(OH)(OOH) : 1.7E+06 9700 -100 ; O'Sullivan et al., 1996 *CH3CH2CH2CH(OH)CH(CH2CH3)CH2(OH) : 7.3E+04 0 -100 ; EPI c1(OH)c(OH)cHcHcHc1H : 3.2E+05 0 -100 ; EPI c1(OH)cHcHc(OH)cHc1H : 2.1E+07 0 -100 ; EPI CH3-O-CH2-O-CH3 : 5.8E+00 0 -100 ; EPI - Hine, J & Mookerjee, PK 1975 CH3CH2-O-CH2-O-CH2CH3 : 1.5E+01 0 -100 ; EPI CH3COCOCH3 : 7.5E+01 5700 1.81 ; M Betterton [1991] ***CH3COCOCH3 : 1.91E+02 0 -100 ; Halil et al., 2008 CHOCHO : 3.6E+05 0 3.52 ; M Zhou and Mopper, 1990 ***CH3COCHO : 3.73E+03 0 -100 ; Halil et al., 2008 CH3COCHO : 3.2E+04 7500 1.81 ; M Zhou and Mopper, 1990 CH2(OH)CHO : 4.1E+04 4600 0.62 ; Betterton and Hoffmann [1988] ** 4 valeurs ci-dessous sont réelles ***CHOCHO : 1.4E+00 0 ; M Betterton and Hoffmann [1988] ***CH3COCHO : 1.4E+00 0 ; M Betterton and Hoffmann [1988] ***CH2(OH)CHO : 4.1E+03 0 ; M Betterton and Hoffmann [1988] ************************* CO(OH)CO(OH) : 7.0E+06 0 -100 ; EPI : Gaffney, JS et al 1987 CO(OH)CH2CO(OH) : 3.7E+06 0 -100 ; EPI CO(OH)CH2CH2CH2CH2CO(OH) : 2.12E+08 0 -100 ; EPI CH3COCH2CO-O-CH3 : 3.7E+03 0 -100 ; EPI CH3COCH2CO-O-CH2CH3 : 8.3E+02 0 -100 ; EPI CH3CH2-O-CO-O-CH2CH3 : 1.1E+01 0 -100 ; EPI CH3CH2-O-COCH2CO-O-CH2CH3 : 4.8E+02 0 -100 ; EPI CH3CO-O-CH2CH2-O-COCH3 : 1.2E+04 0 -100 ; EPI CH3-O-COCO-O-CH3 : 3.4E+02 0 -100 ; EPI CH3-O-COCdH=CdHCO-O-CH3 : 1.4E+03 0 -100 ; EPI CH3CH2-O-COCH2CH2CO-O-CH2CH3 : 1.9E+03 0 -100 ; EPI CH3CH2CH2CH2-O-COCdH=CdHCO-O-CH2CH2CH2CH3 : 2.7E+03 0 -100 ; EPI CH3CO-O-CH2CH(-O-COCH3)CH2-O-COCH3 : 8.13E+04 0 -100 ; EPI c1Hc(CO-O-CH3)c(CO-O-CH3)cHcHc1H : 9.52E+03 0 -100 ; EPI c1(CH3)c(NO2)cHc(NO2)cHc1H : 1.9E+04 0 -100 ; EPI - Altschuh, J et al 1999 c1(NO2)cHc(NO2)cHcHc1H : 2.0E+04 0 -100 ; EPI CH2(ONO2)CH2(ONO2) : 7.9E+01 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH(ONO2)CH3 : 3.2E+01 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH2CH2(ONO2) : 1.3E+02 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH(ONO2)CH2CH3 : 2.1E+01 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH2CH(ONO2)CH3 : 5.8E+01 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH2CH2CH2(ONO2) : 1.6E+02 0 -100 ; M Fischer and Ballschmiter [1998b] CH3CH(ONO2)CH(ONO2)CH3 : 1.2E+01 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH(ONO2)CH2CH2CH3 : 1.3E+01 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH2CH2CH(ONO2)CH3 : 3.9E+01 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH2CH2CH2CH2(ONO2) : 1.2E+02 0 -100 ; M Fischer and Ballschmiter [1998b] CH3CH(ONO2)CH2CH(ONO2)CH3 : 2.2E+01 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH(ONO2)CH2CH2CH2CH3 : 9.7E+00 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH2CH2CH2CH2CH2(ONO2) : 1.5E+02 0 -100 ; M Fischer and Ballschmiter [1998b] CH3CH(ONO2)CH2CH2CH(ONO2)CH3 : 3.2E+01 0 -100 ; M Fischer and Ballschmiter [1998b] C1H(ONO2)CH(ONO2)CH2CH2CH2C1H2 : 1.3E+02 0 -100 ; M Fischer and Ballschmiter [1998b] C1H(ONO2)CH2CH(ONO2)CH2CH2C1H2 : 3.5E+02 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH2CH2CH2CH2CH2CH2(ONO2) : 1.2E+02 0 -100 ; M Fischer and Ballschmiter [1998b] C1H(ONO2)CH(ONO2)CH2CH2CH2CH2CH2C1H2 : 8.9E+01 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH(ONO2)CH2CH2CH2CH2CH2CH3 : 5.3E+00 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH2CH2CH2CH2CH2CH2CH2(ONO2) : 7.9E+01 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH(ONO2)CH2CH2CH2CH2CH2CH2CH2CH3 : 2.0E+00 0 -100 ; M Fischer and Ballschmiter [1998b] CH2(ONO2)CH2CH2CH2CH2CH2CH2CH2CH2CH2(ONO2) : 4.3E+01 0 -100 ; M Fischer and Ballschmiter [1998b] *CH3CH(CH3)-O-CH2CH2(OH) : 1.1E+03 0 -100 ; EPI - Johanson, G & Dynesius, B 1988 *CH3CH2-O-CH2CH2(OH) : 2.1E+03 0 -100 ; EPI - Johanson, G & Dynesius, B 1988 CH3CH(OH)CH2-O-CH3 : 1.1E+03 0 -100 ; EPI - Johanson, G & Dynesius, B 1988 *CH3-O-CH2CH2(OH) : 3.0E+03 0 -100 ; EPI - Johanson, G & Dynesius, B 1988 CH3COCO(OH) : 3.1E+05 5100 2.08 ; M Khan, Brimblecombe, et al., 1995 CH3CO-O-CH2CH2-O-CH2CH3 : 3.1E+02 0 -100 ; EPI - Johanson, G & Dynesius, B 1988 CH3C(-O-CH3)(CH3)CH2COCH3 : 5.2E+02 0 0.58 ; EPI CH2(OH)CH2(ONO2) : 3.9E+04 8600 -100 ; M Shepson et al. [1996] CH2(OH)CH2CH2(ONO2) : 7.3E+03 0 -100 ; M Kames and Schurath [1992] CH3CH(OH)CH2(ONO2) : 1.1E+04 10000 -100 ; M Shepson et al. [1996] CH2(OH)CH(ONO2)CH3 : 4.5E+03 8800 -100 ; M Shepson et al. [1996] CH3CH(OH)CH(ONO2)CH3 : 1.0E+04 9500 -100 ; M Shepson et al. [1996] CH3CH2CH(OH)CH2(ONO2) : 5.8E+03 9200 -100 ; M Shepson et al. [1996] CH3CH2CH(ONO2)CH2(OH) : 6.0E+03 9600 -100 ; M Shepson et al. [1996] CH3COCH2(ONO2) : 1.0E+03 0 1.5 ; M Kames and Schurath [1992] c1(OH)c(-O-CH3)cHc(CH3)cHc1H : 7.5E+02 0 -100 ; EPI - Sagebiel, JC et al 1992 c1HcHcHcHcHc1CH2-O-CH2CH2(OH) : 8.3E+03 0 -100 ; EPI c1(CO(OH))c(-O-COCH3)cHcHcHc1H : 7.7E+05 0 -100 ; EPI c1(CO(OH))c(OH)cHcHcHc1H : 1.4E+05 0 -100 ; EPI c1(OH)cHc(-O-CH3)cHcHc1H : 1.7E+04 0 -100 ; EPI - Abraham, MH et al 1994 c1(OH)c(NO2)cHcHcHc1H : 1.47E+02 5720 -100 ; Guo and Brimblecombe, 2007 c1(OH)cHc(NO2)cHcHc1H : 1.13E+04 5720 -100 ; Guo and Brimblecombe, 2007 c1(OH)cHcHc(NO2)cHc1H : 8.58E+03 5720 -100 ; M Guo and Brimblecombe, 2007 c1(NO2)c(-O-CH3)cHcHcHc1H : 2.33E+03 0 -100 ; EPI C1H2CH(CH2(OH))-O-CH2CH2C1H2 : 6.54E+04 0 -100 ; EPI c1(OH)cHc(CHO)cHcHc1H : 4.00E+05 0 -100 ; EPI - Gaffney, JS et al 1987 c1(OH)cHcHc(CHO)cHc1H : 1.96E+06 0 -100 ; EPI - Parsons, GH et al 1971 c1(CHO)c(OH)cHcHcHc1H : 1.8E+02 0 -100 ; EPI C1dH=Cd(CHO)-O-CdH=C1dH : 2.97E+02 0 -100 ; EPI c1Hc(CO-O-CH2CH2CH3)c(CO-O-CH2CH2CH3)cHcHc1H : 2.48E+03 0 -100 ; EPI * *Multitri CH2(ONO2)CH(ONO2)CH2(ONO2) : 1.0E+04 0 -100 ; EPI CH3CO-O-CH2CH2-O-CH2CH2-O-CH2CH2CH2CH3 : 6.1E+03 0 -100 ; EPI CH2(ONO2)CH2-O-CH2CH2(ONO2) : 2.6E+03 0 -100 ; EPI *c1(OH)c(NO2)cHc(NO2)cHc1(NO2) : 5.9E+07 0 -100 ; EPI c1(OH)c(-O-CH3)cHcHcHc1(-O-CH3) : 4.3E+03 0 -100 ; EPI c1(CHO)cHc(-O-CH3)c(OH)cHc1H : 4.7E+05 0 -100 ; EPI c1Hc(NO2)cHc(NO2)c(OH)c1CH(CH3)CH2CH3 : 2.19E+03 0 -100 ; EPI * * Compounds with fluorine * ----------------------- * CH3(F) : 5.20E-02 2200 -100 ; L Mackay and Shiu, 1981 CH3CH2(F) : 4.50E-02 0 -100 ; V EPI CH(F)(F)(F) : 1.44E-02 2200 -100 ; M Zheng et al., 1997 C(F)(F)(F)(F) : 2.10E-04 1800 -100 ; L Wilhelm et am., 1977 CH3CH(F)(F) : 5.40E-02 2600. -100 ; M Zheng et al., 1997 C(F)(F)(F)CH2(F) : 1.80E-02 2700. -100 ; M Zheng et al., 1997 Cd(F)(F)=Cd(F)(F) : 1.60E-03 2100. -100 ; L Wilhelm et am., 1977 C(F)(F)(F)Cd(F)=Cd(F)(F) : 2.90E-04 2400. -100 ; L Wilhelm et am., 1977 *CO(F)(F) : 3.50E+01 0 -100 ; M Mirabel et al., 1996 C(F)(F)(F)CH2(OH) : 5.90E+01 5900. -100 ; M Rochester and symonds, 1973 C(F)(F)(F)CH(OH)CH3 : 4.50E+01 6300. -100 ; M Rochester and symonds, 1973 CH(F)(F)C(F)(F)CH2(OH) : 1.60E+02 6700. -100 ; M Rochester and symonds, 1973 C(F)(F)(F)C(F)(F)CH2(OH) : 4.50E+01 6000. -100 ; M Rochester and symonds, 1973 C(F)(F)(F)CH(OH)C(F)(F)(F) : 2.40E+01 6700. -100 ; M Rochester and symonds, 1973 C(F)(F)(F)CO(F) : 3.00E+00 0 -100 ; M Mirabel et al., 1996 C(F)(F)(F)COCH3 : 1.40E+02 8900 2.61 ; M Betterton, 1991 CH2(F)CO(OH) : 8.10E+04 0 -100 ; M Bowden et al., 1998b CH(F)(F)CO(OH) : 3.00E+04 6900. -100 ; M Bowden et al., 1998b C(F)(F)(F)CO(OH) : 8.90E+03 9300. -100 ; M Bowden et al., 1998b c1HcHcHcHcHc1(F) : 1.60E-01 0 -100 ; L Mackay and Shiu, 1981 c1HcHcHcHcHc1C(F)(F)(F) : 6.30E-02 0 -100 ; L Mackay and Shiu, 1981 * * * Compounds with chlorine * ----------------------- * ********CH3(Cl) : 9.40E-02 3000. -100 ; M Moore et al., 1995 CH3(Cl) : 1.13E-01 4200. -100 ; M Gosset,JM 1987 CH2(Cl)(Cl) : 3.60E-01 4100. -100 ; L Staudinger and roberts, 1996 CH(Cl)(Cl)(Cl) : 2.50E-01 4500. -100 ; L Staudinger and roberts, 1996 C(Cl)(Cl)(Cl)(Cl) : 3.40E-02 4200. -100 ; L Staudinger and roberts, 1996 CH3CH2(Cl) : 8.50E-02 2900. -100 ; L Staudinger and roberts, 1996 CH(Cl)(Cl)CH3 : 1.60E-01 3600. -100 ; L Staudinger and roberts, 1996 CH2(Cl)CH2(Cl) : 7.30E-01 4200. -100 ; L Staudinger and roberts, 1996 CH3C(Cl)(Cl)(Cl) : 5.90E-02 3900. -100 ; L Staudinger and roberts, 1996 CH(Cl)(Cl)CH2(Cl) : 1.10E+00 4900. -100 ; L Staudinger and roberts, 1996 C(Cl)(Cl)(Cl)CH2(Cl) : 4.00E-01 4800. -100 ; M Wright et al., 1992b CH(Cl)(Cl)CH(Cl)(Cl) : 2.40E+00 3200. -100 ; L Staudinger and roberts, 1996 CH(Cl)(Cl)C(Cl)(Cl)(Cl) : 4.60E-01 0 -100 ; L Mackay and Shiu, 1981 C(Cl)(Cl)(Cl)C(Cl)(Cl)(Cl) : 2.50E-01 5600. -100 ; L Staudinger and roberts, 1996 ****CH3CH2CH2(Cl) : 9.20E-02 0. -100 ; L Mackay and Shiu, 1981 CH3CH2CH2(Cl) : 7.60E-02 0 -100 ; M Gosset, 1987 CH3CH(Cl)CH2(Cl) : 3.40E-01 4300. -100 ; L Staudinger and roberts, 1996 CH2(Cl)CH(Cl)CH2(Cl) : 3.40E+00 3700. -100 ; L Staudinger and roberts, 1996 CH2(Cl)CH(CH3)CH3 : 5.07E-02 0 -100 ; L EPI CH2(Cl)CH(Cl)CH2CH2CH2CH2CH2CH2CH(Cl)CH2(Cl) : 5.70E+00 0 -100 ; M Drouillard et al., 1998 CH2(Cl)CH(Cl)CH2CH2CH2CH2CH2CH2CH2CH(Cl)CH2(Cl) : 1.60E+01 0 -100 ; M Drouillard et al., 1998 CdH2=CdH(Cl) : 3.90E-02 3100. -100 ; L Staudinger and roberts, 1996 CdH2=Cd(Cl)(Cl) : 3.40E-02 4000. -100 ; L Staudinger and roberts, 1996 CdH(Cl)=CdH(Cl) : 2.40E-01 3900. -100 ; L Staudinger and roberts, 1996 - cis *CdH(Cl)=CdH(Cl) : 9.10E-02 4100. -100 ; L Staudinger and roberts, 1996 CdH(Cl)=Cd(Cl)(Cl) : 1.00E-01 4600. -100 ; L Staudinger and roberts, 1996 Cd(Cl)(Cl)=Cd(Cl)(Cl) : 5.90E-02 4800. -100 ; L Staudinger and roberts, 1996 CdH(Cl)=CdHCH2(Cl) : 6.50E-01 4200. -100 ; M Wright et al., 1992b CdH2=Cd(Cl)CH2(Cl) : 2.80E-01 0 -100 ; L Mackay and Shiu, 1981 Cd(Cl)(Cl)=Cd(Cl)Cd(Cl)=Cd(Cl)(Cl) : 4.00E-02 0 -100 ; M Pearson and McConnell, 1975 C(Cl)(Cl)(Cl)CHO : 3.40E+05 3500. 2.82 ; M Betterton and Hoffmann, 1988 CH2(Cl)COCH3 : 5.90E+01 5400. 0.94 ; M Betterton, 1991 CH2(Cl)CO(OH) : 1.10E+05 9700. -100 ; M Bowden et al., 1998b CH(Cl)(Cl)CO(OH) : 1.20E+05 8000. -100 ; M Bowden et al., 1998b C(Cl)(Cl)(Cl)CO(OH) : 7.40E+04 8700. -100 ; M Bowden et al., 1998b C(Cl)(Cl)(Cl)CO(Cl) : 2.00E+00 0 -100 ; M Mirabel et al., 1996 CH3CH2CH2CH2(Cl) : 5.20E-02 0 -100 ; V EPI CH3C(Cl)(CH3)CH3 : 7.81E-02 0 -100 ; V EPI CH3CH(Cl)CH3 : 5.70E-02 0 -100 ; V EPI CH3CH2CH(Cl)CH3 : 4.15E-02 0 -100 ; M LEIGHTON,DT JR & Calo 1981 * * * Aromatics compounds with chlorine * --------------------------------- * c1HcHcHcHcHc1(Cl) : 2.70E-01 3800. -100 ; L Staudinger and roberts, 1996 c1(Cl)c(Cl)cHcHcHc1H : 5.50E-01 5900. -100 ; L Staudinger and roberts, 1996 c1(Cl)cHc(Cl)cHcHc1H : 3.80E-01 0. -100 ; L EPI c1(Cl)cHcHc(Cl)cHc1H : 4.15E-01 0. -100 ; L EPI c1(Cl)c(Cl)c(Cl)cHcHc1H : 8.00E-01 0. -100 ; L EPI c1(Cl)cHc(Cl)cHc(Cl)c1H : 5.29E-01 0. -100 ; L EPI c1(Cl)c(Cl)c(Cl)c(Cl)cHc1H : 1.32E+00 0. -100 ; L EPI c1(Cl)c(Cl)c(Cl)cHc(Cl)c1H : 6.33E-01 0. -100 ; L EPI c1(Cl)c(Cl)cHc(Cl)c(Cl)c1H : 1.00E+00 0. -100 ; L EPI c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1H : 1.42E+00 0. -100 ; EPI c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1(Cl) : 5.88E-01 0. -100 ; EPI c1HcHcHcHcHc1CH2(Cl) : 2.43E+00 0. -100 ; L EPI c1(Cl)cHcHcHc2cHcHcHcHc12 : 2.81E+00 0. -100 ; L EPI c1Hc(Cl)cHcHc2cHcHcHcHc12 : 3.12E+00 0. -100 ; L EPI * * * Compounds with chlorine and fluorine * ------------------------------------ * CH2(Cl)(F) : 1.50E-01 2600. -100 ; L Wilhelm et am., 1977 CH(Cl)(F)(F) : 3.70E-02 2700. -100 ; M Zheng et al., 1997 C(F)(F)(F)(Cl) : 9.40E-04 1600. -100 ; L Wilhelm et am., 1977 C(F)(F)(Cl)(Cl) : 2.30E-03 1800. -100 ; L Mackay and Shiu, 1981 C(F)(Cl)(Cl)(Cl) : 1.00E-02 3100. -100 ; L Staudinger and roberts, 1996 C(F)(F)(F)C(F)(F)(Cl) : 3.40E-04 2800. -100 ; L Wilhelm et am., 1977 C(F)(F)(Cl)CO(OH) : 2.50E+04 10000. -100 ; M Bowden et al., 1998b C(F)(F)(F)CO(Cl) : 2.00E+00 0. -100 ; M Mirabel et al., 1996 * * * Compounds with bromine * ---------------------- * ********CH3(Br) : 1.90E-01 3100. ; L Mackay and Shiu, 1981 CH3(Br) : 1.60E-01 3100. -100 ; L EPI CH3CH2(Br) : 1.30E-01 0. -100 ; V Hine and Mookerjee 1975 CH2(Br)(Br) : 9.30E-01 4400. -100 ; M Moore et al., 1995 CH(Br)(Br)(Br) : 1.70E+00 5200. -100 ; L Staudinger and roberts, 1996 CH3CH2CH2CH2(Br) : 4.70E-02 0. -100 ; M Hoff et al., 1993 CH2(Br)CO(OH) : 1.50E+05 9300. -100 ; M Bowden et al., 1998b CH(Br)(Br)CO(OH) : 2.30E+05 8900. -100 ; M Bowden et al., 1998b C(Br)(Br)(Br)CO(OH) : 3.00E+05 9000. -100 ; M Bowden et al., 1998b c1HcHcHcHcHc1(Br) : 5.40E-01 5300. -100 ; M Hansen et al., 1995 c1(Br)cHc(Br)cHcHc1H : 5.10E-01 0. -100 ; L Mackay and Shiu, 1981 c1(Br)cHcHc(Br)cHc1H : 4.90E-01 0. -100 ; L Mackay and Shiu, 1981 c1(OH)cHcHc(Br)cHc1H : 7.00E+03 8200. -100 ; M Parsons et al., 1971 CH(Cl)(Cl)(Br) : 4.00E-01 5200. -100 ; L Staudinger and roberts, 1996 c1(Br)cHcHc(Cl)cHc1H : 6.90E-01 0. -100 ; L Mackay and Shiu, 1981 CH3CH(CH3)CH2(Br) : 4.30E-02 0. -100 ; V Hine and Mookerjee 1975 CH3C(Br)(CH3)CH3 : 2.45E-02 0. -100 ; V EPI CH3CH(Br)CH3 : 9.10E-02 0. -100 ; V EPI CH3CH2CH2(Br) : 1.36E-01 0. -100 ; V EPI CH3CH2CH2CH2CH2CH2CH2CH2(Br) : 1.17E-02 0. -100 ; V EPI CH3CH2CH2CH2CH2CH2CH2(Br) : 2.21E-02 0. -100 ; V EPI CH3CH2CH2CH2CH2CH2(Br) : 3.05E-02 0. -100 ; V EPI * * * Compounds with iodine * --------------------- * *******CH3(I) : 1.40E-01 4300. ; M Moore et al., 1995 CH3(I) : 1.90E-01 3800. -100 ; M Hunter-Smith,RJ et al. 1983 CH3CH2(I) : 1.40E-01 0. -100 ; V Hine and Mookerjee 1975 CH2(I)(I) : 2.30E+00 5000. -100 ; M Moore et al., 1995 c1HcHcHcHcHc1(I) : 7.80E-01 0. -100 ; L Mackay and Shiu, 1981 CH2(Cl)(I) : 8.90E-01 4300. -100 ; M Moore et al., 1995 CH3CH2CH2(I) : 1.1E-01 0. -100 ; V EPI CH3CH2CH2CH2(I) : 5.90E-02 0. -100 ; V EPI CH3CH(I)CH3 : 1.45E-01 0. -100 ; V EPI CH3CH2CH(I)CH3 : 5.08E-02 0. -100 ; V EPI CH3CH2CH2CH2CH2(I) : 5.15E-02 0. -100 ; M Abraham,MH et al. 1994 CH3CH2CH2CH2CH2CH2CH2(I) : 2.57E-02 0. -100 ; M Abraham,MH et al. 1994 * * * PCB, pesticides... * ------------------ * *c1(Cl)cHc2-O-c3cHcHc(Cl)cHc3-O-c2cHc1H : 1.70E+01 0. -100 ; M Santl et al., 1994 *c1HcHc2-O-c3c(Cl)cHc(Cl)c(Cl)c3-O-c2cHc1H : 2.80E+01 0. -100 ; M Santl et al., 1994 *c1HcHc2-O-c3c(Cl)c(Cl)c(Cl)c(Cl)c3-O-c2cHc1H : 5.10E+01 0. -100 ; M Santl et al., 1994 *c1(Cl)cHcHcHcHc1c2cHcHcHcHc2(Cl) : 2.90E+00 0. -100 ; M Dunnivant et al., 1988 c1HcHcHcHcHc1c2cHc(Cl)cHcHc2(Cl) : 2.60E+00 0. -100 ; M Dunnivant et al., 1988 *c1Hc(Cl)cHcHcHc1c2cHcHcHc(Cl)c2H : 4.20E+00 0. -100 ; M Dunnivant et al., 1988 c1Hc(Cl)cHcHcHc1c2cHcHc(Cl)cHc2H : 4.80E+00 0. -100 ; M Dunnivant et al., 1988 *c1HcHc(Cl)cHcHc1c2cHcHc(Cl)cHc2H : 5.10E+00 0. -100 ; M Dunnivant et al., 1988 c1HcHcHc(Cl)cHc1c2cHc(Cl)cHcHc2(Cl) : 3.00E+00 0. -100 ; M Dunnivant et al., 1988 c1HcHcHcHcHc1c2c(Cl)cHc(Cl)cHc2(Cl) : 1.50E+00 0. -100 ; M Dunnivant et al., 1988 *c1(Cl)c(Cl)cHcHcHc1c2cHcHcHc(Cl)c2(Cl) : 4.90E+00 0. -100 ; M Dunnivant et al., 1988 *c1(Cl)cHcHc(Cl)cHc1c2cHc(Cl)cHcHc2(Cl) : 2.90E+00 0. -100 ; M Dunnivant et al., 1988 *c1(Cl)cHcHcHc(Cl)c1c2c(Cl)cHcHcHc2(Cl) : 1.80E+00 0. -100 ; M Dunnivant et al., 1988 c1(Cl)cHcHc(Cl)cHc1c2c(Cl)cHcHcHc2(Cl) : 2.40E+00 0. -100 ; M Dunnivant et al., 1988 c1Hc(Cl)c(Cl)cHcHc1c2cHcHc(Cl)cHc2(Cl) : 1.10E+01 0. -100 ; M Dunnivant et al., 1988 c1(Cl)cHc(Cl)c(Cl)cHc1c2cHc(Cl)cHcHc2(Cl) : 3.90E+00 0. -100 ; M Dunnivant et al., 1988 c1(Cl)cHc(Cl)cHc(Cl)c1c2c(Cl)cHcHcHc2(Cl) : 1.10E+00 0. -100 ; M Dunnivant et al., 1988 *c1(Cl)c(Cl)c(Cl)cHcHc1c2cHcHc(Cl)c(Cl)c2(Cl) : 3.30E+01 0. -100 ; M Dunnivant et al., 1988 *c1(Cl)cHc(Cl)c(Cl)cHc1c2cHc(Cl)c(Cl)cHc2(Cl) : 7.60E+00 0. -100 ; M Dunnivant et al., 1988 *c1(Cl)cHc(Cl)cHc(Cl)c1c2c(Cl)cHc(Cl)cHc2(Cl) : 1.30E+00 0. -100 ; M Dunnivant et al., 1988 *C1H(Cl)CH(Cl)CH(Cl)CH(Cl)CH(Cl)C1H(Cl) : 3.20E+02 0. -100 ; L Mackay and Shiu, 1981 *c1HcHc(Cl)cHcHc1CH(C(Cl)(Cl)(Cl))c2cHcHc(Cl)cHc2H : 1.90E+01 0. -100 ; L Mackay and Shiu, 1981 * CH2(OH)CO(OH) : 2.37E+04 0. -100 ; M Ip et al. 2009 CHOCO(OH) : 1.09E+04 0. 2.08 ; M Ip et al. 2009 *CHOCO(OH) : 28.67E+00 0. -100 ; M Ip et al. 2009 *CHOCHO : 12.3E+00 0. -100 ; calculated *CH3COCHO : 7.08E+00 0. -100 ; calculated CH3CH(OH)CO(OH) : 1.23E+04 0. -100 ; V epi CO(OH)CH2CH2CO(OH) : 2.80E+09 0. -100 ; V epi * * Cd1H=CdH-O-CdH=Cd1H : 1.85E-01 0. -100 ; M EPI,Yaws&Yang,Sanders C1H2CH2-O-CH2C1H2 : 1.40E+01 0. -100 ; M Sander,Cabani 1971 C1H2CH2CH2-O-C1HCH3 : 1.10E+01 0. -100 ; M Sander,Cabani CH3C1HCH2CH2-O-C1HCH3 : 5.70E+00 0. -100 ; M Sander,Cabani, Hilal cite 8 *Cd1H=CdH-O-Cd(CHO)=Cd1H : 6.92E+03 0. -100 ; M EPI, Hilal cite 12 Cd1H=CdH-O-Cd(CH2(OH))=Cd1H : 1.27E+04 0. -100 ; M EPI, Hilal cite 12 C1H2CH2CH2-O-CH2C1H2 : 8.00E+00 0. -100 ; M Sander, Cabani Hilal cite 2 C1H2-O-CH2CH2-O-C1H2 : 2.00E+02 0. -100 ; M Sander, Cabani *CH3CH2CO-O-COCH2CH3 : 3.4E+02 0. -100 ; m TEST VALUE TO DELEATE -dummy *CH3CH2-O-CO-O-COCH2CH3 : 3.4E+02 0. -100 ; m TEST VALUE TO DELEATE -dummy *CH3CH2CO-O-O-COCH2CH3 : 3.4E+02 0. -100 ; m TEST VALUE TO DELEATE -dummy * END * * -------------------- Compilation of Henry's law constants for inorganic and organic species of potential importance in environmental chemistry. Rolf Sander, 1999. Buttery et al 1971 is incorrect, should be 1969. M measurement V vapour pressure of the pure substance L review