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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

Notes

References

Errata

Contact, Impressum, Acknowledgements


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) → hexachloroethane

FORMULA:C2Cl6
CAS RN:67-72-1
STRUCTURE
(FROM NIST):
InChIKey:VHHHONWQHHHLTI-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.5×10−3 5600 Staudinger and Roberts 1996 L
1.2×10−3 2600 Ashworth et al. 1988 M 103)
2.5×10−3 5600 Munz and Roberts 1987 M
3.4×10−3 Munz and Roberts 1986 M
1.0×10−3 Warner et al. 1980 M
4.2×10−3 Mackay et al. 2006b V
3.6×10−3 Lide and Frederikse 1995 V
1.5×10−2 Hwang et al. 1992 V
2.2×10−4 Ballschmiter and Wittlinger 1991 V
7.7×10−4 Mackay and Shiu 1981 V
8.1×10−3 Dilling 1977 V
4.3×10−3 Hine and Mookerjee 1975 V
1.0×10−3 2100 Goldstein 1982 X 116)
9.8×10−4 Ryan et al. 1988 C
1.0×10−3 Shen 1982 C
2.4×10−3 Zhang et al. 2010 Q 107) 108)
1.8×10−3 Zhang et al. 2010 Q 107) 109)
1.9×10−3 Zhang et al. 2010 Q 107) 110)
3.9×10−3 Zhang et al. 2010 Q 107) 111)
3.9×10−3 Hilal et al. 2008 Q
1.0×10−3 Nirmalakhandan and Speece 1988a Q
1.2×10−3 Mackay et al. 2006b ?
1.2×10−3 Mackay et al. 1993 ?
4.4×10−4 Yaws and Yang 1992 ? 92)

References

  • Ashworth, R. A., Howe, G. B., Mullins, M. E., and Rogers, T. N.: Air-water partitioning coefficients of organics in dilute aqueous solutions, J. Hazard. Mater., 18, 25-36, doi:10.1016/0304-3894(88)85057-X, 1988.
  • Ballschmiter, K. and Wittlinger, R.: Interhemisphere exchange of hexachlorocyclohexanes, hexachlorobenzene, polychlorobiphenyls, and 1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane in the lower troposphere, Environ. Sci. Technol., 25, 1103-1111, doi:10.1021/ES00018A014, 1991.
  • Dilling, W. L.: Interphase transfer processes. II. Evaporation rates of chloro methanes, ethanes, ethylenes, propanes, and propylenes from dilute aqueous solutions. Comparisons with theoretical predictions, Environ. Sci. Technol., 11, 405-409, doi:10.1021/ES60127A009, 1977.
  • Goldstein, D. J.: Air and steam stripping of toxic pollutants, Appendix 3: Henry's law constants, Tech. Rep. EPA-68-03-002, Industrial Environmental Research Laboratory, Cincinnati, OH, USA, 1982.
  • Hilal, S. H., Ayyampalayam, S. N., and Carreira, L. A.: Air-liquid partition coefficient for a diverse set of organic compounds: Henry's law constant in water and hexadecane, Environ. Sci. Technol., 42, 9231-9236, doi:10.1021/ES8005783, 2008.
  • Hine, J. and Mookerjee, P. K.: The intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions, J. Org. Chem., 40, 292-298, doi:10.1021/JO00891A006, 1975.
  • Hwang, Y.-L., Olson, J. D., and 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.
  • Lide, D. R. and Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL, 1995.
  • Mackay, D. and 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., and 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., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II of Halogenated Hydrocarbons , CRC/Taylor & Francis Group, 2006b.
  • Munz, C. and Roberts, P. V.: Effects of solute concentration and cosolvents on the aqueous activity coefficient of halogenated hydrocarbons, Environ. Sci. Technol., 20, 830-836, doi:10.1021/ES00150A013, 1986.
  • Munz, C. and 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. and Speece, R. E.: QSAR model for predicting Henry's constant, Environ. Sci. Technol., 22, 1349-1357, doi:10.1021/ES00176A016, 1988a.
  • Ryan, J. A., Bell, R. M., Davidson, J. M., and O'Connor, G. A.: Plant uptake of non-ionic organic chemicals from soils, Chemosphere, 17, 2299-2323, doi:10.1016/0045-6535(88)90142-7, 1988.
  • Shen, T. T.: Estimation of organic compound emissions from waste lagoons, J. Air Pollut. Control Assoc., 32, 79-82, doi:10.1080/00022470.1982.10465374, 1982.
  • Staudinger, J. and 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.
  • Warner, H. P., Cohen, J. M., and Ireland, J. C.: Determination of Henry's law constants of selected priority pollutants, Tech. rep., U.S. EPA, Municipal Environmental Research Laboratory, Wastewater Research Division, Cincinnati, Ohio, 45268, USA, 1980.
  • Yaws, C. L. and Yang, H.-C.: Henry's law constant for compound in water, in: Thermodynamic and Physical Property Data, edited by Yaws, C. L., pp. 181-206, Gulf Publishing Company, Houston, TX, 1992.
  • Zhang, X., Brown, T. N., Wania, F., Heimstad, E. S., and Goss, K.-U.: Assessment of chemical screening outcomes based on different partitioning property estimation methods, Environ. Int., 36, 514-520, doi:10.1016/J.ENVINT.2010.03.010, 2010.

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

92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
103) The value is most probably taken from the report by Howe et al. (1987).
107) Data taken from the supplement.
108) Calculated using the EPI Suite (v4.0) method.
109) Calculated using the SPARC (v4.2) method.
110) Calculated using the COSMOtherm (v2.1) method.
111) Calculated using the ABSOLV (ADMEBoxes v4.1) method.
116) Value given here as quoted by Staudinger and Roberts (1996).

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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