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Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany


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Henry's Law Constants

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When referring to the compilation of Henry's Law Constants, please cite this publication:

R. Sander: Compilation of Henry's law constants (version 4.0) for water as solvent, Atmos. Chem. Phys., 15, 4399-4981 (2015), doi:10.5194/acp-15-4399-2015


Henry's Law ConstantsOrganic species with chlorine (Cl)Chlorocarbons (C, H, Cl) → tetrachloroethene

FORMULA:C2Cl4
TRIVIAL NAME: tetrachloroethylene
CAS RN:127-18-4
STRUCTURE
(FROM NIST):
InChIKey:CYTYCFOTNPOANT-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
6.2×10−4 4500 Warneck (2007) L
6.0×10−4 4200 Fogg and Sangster (2003) L
5.9×10−4 4800 Staudinger and Roberts (2001) L
5.8×10−4 4800 Staudinger and Roberts (1996) L
4.3×10−4 Mackay and Shiu (1981) L
9.9×10−4 4600 Hiatt (2013) M
6.2×10−4 4200 Chen et al. (2012) M
5.8×10−4 4200 Shimotori and Arnold (2003) M
4.1×10−4 5300 Moore (2000) M 127)
6.0×10−4 4100 Vane and Giroux (2000) M
5.3×10−4 Ryu and Park (1999) M
8.6×10−4 Dohnal and Hovorka (1999) M 9)
6.2×10−4 Chiang et al. (1998) M 9)
7.8×10−4 Peng and Wan (1998) M
4.7×10−4 4100 Peng and Wan (1998) M 127)
6.1×10−4 4200 Peng and Wan (1997) M
8.4×10−4 Hovorka and Dohnal (1997) M 9)
6.9×10−4 2200 Kondoh and Nakajima (1997) M
5.5×10−4 4200 Park et al. (1997) M
6.9×10−4 4800 Dewulf et al. (1995) M
5.6×10−4 3600 Robbins et al. (1993) M
6.3×10−4 Hoff et al. (1993) M
6.3×10−4 Li et al. (1993) M
8.1×10−4 2100 Kolb et al. (1992) M 102)
5.9×10−4 5500 Tancrède and Yanagisawa (1990) M
6.2×10−4 5300 Bissonette et al. (1990) M
5.4×10−4 4400 Ashworth et al. (1988) M 103)
5.6×10−4 4900 Gossett (1987) M
5.4×10−4 4400 Munz and Roberts (1987) M
7.7×10−4 Hellmann (1987) M 31)
7.5×10−4 Yurteri et al. (1987) M 9)
6.5×10−4 4600 Gossett et al. (1985) M
5.7×10−4 5100 Lincoff and Gossett (1984) M
6.1×10−4 4700 Leighton and Calo (1981) M
5.7×10−4 5200 Ervin et al. (1980) M
3.4×10−4 Warner et al. (1980) M
1.1×10−3 4300 Gossett (1980) M
1.7×10−4 Sato and Nakajima (1979b) M 19)
5.0×10−4 Pearson and McConnell (1975) M 9) 248)
3.7×10−4 Mackay et al. (2006b) V
3.4×10−4 Park et al. (1997) V
3.7×10−4 Mackay et al. (1993) V
3.6×10−4 Hwang et al. (1992) V
3.5×10−4 Warner et al. (1980) V
3.4×10−4 Dilling (1977) V 249)
4.0×10−4 Dilling (1977) V 9)
1.2×10−3 Dilling (1977) V 66)
3.7×10−4 Hine and Mookerjee (1975) V
9.8×10−4 Dilling et al. (1975) V
3.6×10−4 1500 Goldstein (1982) X 116)
6.3×10−4 Ryan et al. (1988) C
3.4×10−4 Shen (1982) C
8.1×10−4 Dilling (1977) C
8.1×10−4 Dilling et al. (1975) C
1.7×10−4 Hilal et al. (2008) Q
3900 Kühne et al. (2005) Q
8.8×10−4 Nirmalakhandan and Speece (1988a) Q
5.8×10−4 Mackay et al. (2006b) ?
5100 Kühne et al. (2005) ?
5.8×10−4 Mackay et al. (1993) ?
3.7×10−4 Yaws and Yang (1992) ? 92)
3.4×10−4 Abraham et al. (1990) ?
2.9×10−3 Chiou et al. (1980) ? 27)

References

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  • Hellmann, H.: Model tests on volatilization of organic trace substances in surfaces waters, Fresenius J. Anal. Chem., 328, 475–479, doi:10.1007/BF00475967 (1987).
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  • Hovorka, Š. & Dohnal, V.: Determination of air-water partitioning of volatile halogenated hydrocarbons by the inert gas stripping method, J. Chem. Eng. Data, 42, 924–933, doi:10.1021/JE970046G (1997).
  • Hwang, Y.-L., Olson, J. D., & Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759–1768, doi:10.1021/IE00007A022 (1992).
  • Kolb, B., Welter, C., & Bichler, C.: Determination of partition coefficients by automatic equilibrium headspace gas chromatography by vapor phase calibration, Chromatographia, 34, 235–240, doi:10.1007/BF02268351 (1992).
  • Kondoh, H. & Nakajima, T.: Optimization of headspace cryofocus gas chromatography/mass spectrometry for the analysis of 54 volatile organic compounds, and the measurement of their Henry’s constants, J. Environ. Chem., 7, 81–89, doi:10.5985/JEC.7.81 (1997).
  • Kühne, R., Ebert, R.-U., & Schüürmann, G.: Prediction of the temperature dependency of Henry’s law constant from chemical structure, Environ. Sci. Technol., 39, 6705–6711, doi:10.1021/ES050527H (2005).
  • Leighton, D. T. & Calo, J. M.: Distribution coefficients of chlorinated hydrocarbons in dilute air-water systems for groundwater contamination applications, J. Chem. Eng. Data, 26, 382–385, doi:10.1021/JE00026A010 (1981).
  • Li, J., Dallas, A. J., Eikens, D. I., Carr, P. W., Bergmann, D. L., Hait, M. J., & Eckert, C. A.: Measurement of large infinite dilution activity coefficients of nonelectrolytes in water by inert gas stripping and gas chromatography, Anal. Chem., 65, 3212–3218, doi:10.1021/AC00070A008 (1993).
  • Lincoff, A. H. & Gossett, J. M.: The determination of Henry’s law constant for volatile organics by equilibrium partitioning in closed systems, in: Gas transfer at water surfaces, edited by Brutsaert, W. & Jirka, G. H., pp. 17–25, D. Reidel Publishing Company, Dordrecht-Holland, doi:10.1007/978-94-017-1660-4_2 (1984).
  • Mackay, D. & Shiu, W. Y.: A critical review of Henry’s law constants for chemicals of environmental interest, J. Phys. Chem. Ref. Data, 10, 1175–1199, doi:10.1063/1.555654 (1981).
  • Mackay, D., Shiu, W. Y., & Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Volatile Organic Chemicals, Lewis Publishers, Boca Raton (1993).
  • Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II of Halogenated Hydrocarbons, CRC/Taylor & Francis Group (2006b).
  • Moore, R. M.: The solubility of a suite of low molecular weight organochlorine compounds in seawater and implications for estimating the marine source of methyl chloride to the atmosphere, Chemosphere; Global Change Sci., 2, 95–99, doi:10.1016/S1465-9972(99)00045-8 (2000).
  • Munz, C. & Roberts, P. V.: Air-water phase equilibria of volatile organic solutes, J. Am. Water Works Assoc., 79, 62–69, doi:10.1002/J.1551-8833.1987.TB02844.X (1987).
  • Nirmalakhandan, N. N. & Speece, R. E.: QSAR model for predicting Henry’s constant, Environ. Sci. Technol., 22, 1349–1357, doi:10.1021/ES00176A016 (1988a).
  • Park, S.-J., Han, S.-D., & Ryu, S.-A.: Measurement of air/water partition coefficient (Henry’s law constant) by using EPICS method and their relationship with vapor pressure and water solubility, J. Korean Inst. Chem. Eng., 35, 915–920 (1997).
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  • Robbins, G. A., Wang, S., & Stuart, J. D.: Using the headspace method to determine Henry’s law constants, Anal. Chem., 65, 3113–3118, doi:10.1021/AC00069A026 (1993).
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  • Shimotori, T. & Arnold, W. A.: Measurement and estimation of Henry’s law constants of chlorinated ethylenes in aqueous surfactant solutions, J. Chem. Eng. Data, 48, 253–261, doi:10.1021/JE025553Z (2003).
  • Staudinger, J. & Roberts, P. V.: A critical review of Henry’s law constants for environmental applications, Crit. Rev. Environ. Sci. Technol., 26, 205–297, doi:10.1080/10643389609388492 (1996).
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Type

Table entries are sorted according to reliability of the data, listing the most reliable type first: L) literature review, M) measured, V) VP/AS = vapor pressure/aqueous solubility, R) recalculation, T) thermodynamical calculation, X) original paper not available, C) citation, Q) QSPR, E) estimate, ?) unknown, W) wrong. See Section 3.1 of Sander (2015) for further details.

Notes

9) Value at T = 293 K.
19) Value at T = 310 K.
27) Value at T = 297 K.
31) Value at T = 295 K.
66) Value at T = 275 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
102) Extrapolated from data measured between 40 °C and 80 °C.
103) The value is most probably taken from the report by Howe et al. (1987).
116) Value given here as quoted by Staudinger and Roberts (1996).
127) Solubility in sea water.
248) The same data were also published in McConnell et al. (1975).
249) Values at different temperatures are from different sources. Thus a temperature dependence was not calculated.

The numbers of the notes are the same as in Sander (2015). References cited in the notes can be found here.

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