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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 ConstantsHydrocarbons (C, H)Polynuclear aromatics → biphenyl

FORMULA:(C6H5)2
CAS RN:92-52-4
STRUCTURE
(FROM NIST):
InChIKey:ZUOUZKKEUPVFJK-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.6×10−2 Mackay and Shiu 1981 L
3.4×10−2 Destaillats and Charles 2002 M
Dewulf et al. 1999 M 141)
3.2×10−2 Shiu and Mackay 1997 M
5.1×10−2 Fendinger and Glotfelty 1990 M
3.3×10−2 Mackay and Shiu 1981 M
2.4×10−2 Mackay et al. 1979 M
3.5×10−2 Mackay et al. 2006a V
3.5×10−2 Mackay et al. 2006b V
3.6×10−2 Shiu and Ma 2000 V
3.5×10−2 Shiu and Mackay 1997 V
3.6×10−2 Abraham et al. 1994a V
1.9×10−2 Mackay et al. 1992a V
1.2×10−2 Eastcott et al. 1988 V
1.9×10−2 Shiu and Mackay 1986 V
7.3×10−2 Burkhard et al. 1985 V
3.5×10−2 Cabani et al. 1981 V
6.4×10−3 Mackay and Leinonen 1975 V
1.2×10−2 Bohon and Claussen 1951 V
7.6×10−3 2900 Paasivirta et al. 1999 T
1.3×10−2 Hilal et al. 2008 Q
5100 Kühne et al. 2005 Q
8.0×10−3 Nirmalakhandan and Speece 1988a Q
2.9×10−2 Arbuckle 1983 Q
6000 Kühne et al. 2005 ?
1.2×10−2 Yaws and Yang 1992 ? 92)

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.
  • Arbuckle, W. B.: Estimating activity coefficients for use in calculating environmental parameters, Environ. Sci. Technol., 17, 537-542, doi:10.1021/ES00115A008, 1983.
  • Bohon, R. J. and Claussen, W. F.: The solubility of aromatic hydrocarbons in water, J. Am. Chem. Soc., 73, 1571-1578, doi:10.1021/JA01148A047, 1951.
  • Burkhard, L. P., Armstrong, D. E., and Andren, A. W.: Henry's law constants for the polychlorinated biphenyls, Environ. Sci. Technol., 19, 590-596, doi:10.1021/ES00137A002, 1985.
  • Cabani, S., Gianni, P., Mollica, V., and Lepori, L.: Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution, J. Solution Chem., 10, 563-595, doi:10.1007/BF00646936, 1981.
  • Destaillats, H. and Charles, M. J.: Henry's law constants of carbonyl-pentafluorobenzyl hydroxylamine (PFBHA) derivatives in aqueous solution, J. Chem. Eng. Data, 47, 1481-1487, doi:10.1021/JE025545I, 2002.
  • Dewulf, J., van Langenhove, H., and Everaert, P.: Determination of Henry's law coefficients by combination of the equilibrium partitioning in closed systems and solid-phase microextraction techniques, J. Chromatogr. A, 830, 353-363, doi:10.1016/S0021-9673(98)00877-2, 1999.
  • Eastcott, L., Shiu, W. Y., and Mackay, D.: Environmentally relevant physical-chemical properties of hydrocarbons: A review of data and development of simple correlations, Oil Chem. Pollut., 4, 191-216, doi:10.1016/S0269-8579(88)80020-0, 1988.
  • Fendinger, N. J. and Glotfelty, D. E.: Henry's law constants for selected pesticides, PAHs and PCBs, Environ. Toxicol. Chem., 9, 731-735, doi:10.1002/ETC.5620090606, 1990.
  • 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.
  • 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.
  • Mackay, D. and Leinonen, P. J.: Rate of evaporation of low-solubility contaminants from water bodies to atmosphere, Environ. Sci. Technol., 9, 1178-1180, doi:10.1021/ES60111A012, 1975.
  • 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 Sutherland, R. P.: Determination of air-water Henry's law constants for hydrophobic pollutants, Environ. Sci. Technol., 13, 333-337, doi:10.1021/ES60151A012, 1979.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Monoaromatic Hydrocarbons, Chlorobenzenes, and PCBs , Lewis Publishers, Boca Raton, 1992a.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Introduction and Hydrocarbons , CRC/Taylor & Francis Group, 2006a.
  • 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.
  • 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.
  • Paasivirta, J., Sinkkonen, S., Mikkelson, P., Rantio, T., and Wania, F.: Estimation of vapor pressures, solubilities and Henry's law constants of selected persistent organic pollutants as functions of temperature, Chemosphere, 39, 811-832, doi:10.1016/S0045-6535(99)00016-8, 1999.
  • Shiu, W. Y. and Ma, K.-C.: Temperature dependence of physical-chemical properties of selected chemicals of environmental interest. I. mononuclear and polynuclear aromatic hydrocarbons, J. Phys. Chem. Ref. Data, 29, 41-130, doi:10.1063/1.556055, 2000.
  • Shiu, W. Y. and Mackay, D.: A critical review of aqueous solubilities, vapor pressures, Henry's law constants, and octanol-water partition coefficients of the polychlorinated biphenyls, J. Phys. Chem. Ref. Data, 15, 911-929, doi:10.1063/1.555755, 1986.
  • Shiu, W.-Y. and Mackay, D.: Henry's law constants of selected aromatic hydrocarbons, alcohols, and ketones, J. Chem. Eng. Data, 42, 27-30, doi:10.1021/JE960218U, 1997.
  • 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.
141) The values of Dewulf et al. (1999) are not used here because, according to them, the calculated regression does not match the theoretical expectation for this species.

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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