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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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Errata

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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 oxygen (O)Carboxylic acids (RCOOH) and peroxy carboxylic acids (RCOOOH) → benzenecarboxylic acid

FORMULA:C6H5COOH
TRIVIAL NAME: benzoic acid
CAS RN:65-85-0
STRUCTURE
(FROM NIST):
InChIKey:WPYMKLBDIGXBTP-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.9×102 Li et al. 2007 M
2.5×102 Mackay et al. 2006c V
1.4×102 Lide and Frederikse 1995 V
2.1 Mackay et al. 1995 V
1.7×102 Meylan and Howard 1991 V
1.4×102 6500 Goldstein 1982 X 116)
1.4×102 Howard 1989 X 164)
2.4×102 Hilal et al. 2008 Q
6700 Kühne et al. 2005 Q
9.1×101 Meylan and Howard 1991 Q
6200 Kühne et al. 2005 ?
2.4×102 Yaws and Yang 1992 ? 92)

References

  • 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.
  • Howard, P. H.: Handbook of Environmental fate and exposure data for organic chemicals. Vol. I: Large production and priority pollutants, Lewis Publishers Inc. Chelsea, Michigan, 1989.
  • Kühne, R., Ebert, R.-U., and 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.
  • Lide, D. R. and Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL, 1995.
  • Li, H., Ellis, D., and Mackay, D.: Measurement of low air-water partition coefficients of organic acids by evaporation from a water surface, J. Chem. Eng. Data, 52, 1580-1584, doi:10.1021/JE600556D, 2007.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds , Lewis Publishers, Boca Raton, 1995.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds , CRC/Taylor & Francis Group, 2006c.
  • Meylan, W. M. and Howard, P. H.: Bond contribution method for estimating Henry's law constants, Environ. Toxicol. Chem., 10, 1283-1293, doi:10.1002/ETC.5620101007, 1991.
  • 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.

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.
116) Value given here as quoted by Staudinger and Roberts (1996).
164) Value given here as quoted by Mackay et al. (1995).

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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