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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 Constants → Organic species with chlorine (Cl) → Oxygenated chlorocarbons (C, H, O, Cl) → 3-hydroxychlorobenzene

FORMULA:C6H5ClO
TRIVIAL NAME: m-chlorophenol
CAS RN:108-43-0
STRUCTURE
(FROM NIST):
InChIKey:HORNXRXVQWOLPJ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.4×101 6400 Tabai et al. 1997 M 89)
4.9 Mackay et al. 2006c V
7.3 Fogg and Sangster 2003 V
1.8×101 Lide and Frederikse 1995 V
4.9 Mackay et al. 1995 V
4.9 Shiu et al. 1994 V
2.9×101 Abraham et al. 1994a R
1.8×101 Howard 1989 X 169)
1.6×101 Hilal et al. 2008 Q
6200 Kühne et al. 2005 Q
1.8×102 Nirmalakhandan et al. 1997 Q
2.9×101 HSDB 2015 ? 170)
6100 Kühne et al. 2005 ?

References

  • Abraham, M. H., Andonian-Haftvan, J., Whiting, G. S., Leo, A., and Taft, R. S.: Hydrogen bonding. Part 34. The factors that influence the solubility of gases and vapours in water at 298 K, and a new method for its determination, J. Chem. Soc. Perkin Trans. 2, pp. 1777-1791, doi:10.1039/P29940001777, 1994a.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • 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.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • 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.
  • 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.
  • Nirmalakhandan, N., Brennan, R. A., and Speece, R. E.: Predicting Henry's law constant and the effect of temperature on Henry's law constant, Wat. Res., 31, 1471-1481, doi:10.1016/S0043-1354(96)00395-8, 1997.
  • Shiu, W.-Y., Ma, K.-C., Varhanícková, D., and Mackay, D.: Chlorophenols and alkylphenols: A review and correlation of environmentally relevant properties and fate in an evaluative environment, Chemosphere, 29, 1155-1224, doi:10.1016/0045-6535(94)90252-6, 1994.
  • Tabai, S., Rogalski, M., Solimando, R., and Malanowski, S. K.: Activity coefficients of chlorophenols in water at infinite dilution, J. Chem. Eng. Data, 42, 1147-1150, doi:10.1021/JE960336H, 1997.

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

89) Measured at high temperature and extrapolated to T⊖ = 298.15 K.
169) Value given here as quoted by Shiu et al. (1994).
170) HSDB (2015) refer to Abraham et al. (1994b) as the source but this value cannot be found there. Maybe the value is taken from Abraham et al. (1990).

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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