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Henry's Law Constants

Rolf Sander

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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 → Hydrocarbons (C, H) → Polynuclear aromatics → benz[a]anthracene

FORMULA:C18H12
CAS RN:56-55-3
STRUCTURE
(FROM NIST):
InChIKey:DXBHBZVCASKNBY-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.4 Ma et al. 2010 L 143)
1.6 Ma et al. 2010 L 144)
9.0×10−1 7900 Fogg and Sangster 2003 L
1.7 Lee et al. 2012 M
8.2×10−1 8300 Bamford et al. 1999a M
9.9 Zhang and Pawliszyn 1993 M
1.2 Southworth 1979 M
1.7 Mackay et al. 2006a V
2.4 Eastcott et al. 1988 V
4.0 Southworth 1979 V
1.5×10−1 6100 Paasivirta et al. 1999 T
8.5 Smith et al. 1993 C 27)
9.8 Ryan et al. 1988 C
8.2×101 Petrasek et al. 1983 C
4.4 Hilal et al. 2008 Q
6100 Kühne et al. 2005 Q
5.6 Ferreira 2001 Q 9)
8300 Kühne et al. 2005 ?
Shiu and Ma 2000 W 140)

References

  • Bamford, H. A., Poster, D. L., and Baker, J. E.: Temperature dependence of Henry's law constants of thirteen polycyclic aromatic hydrocarbons between 4 ° C and 31 ° C, Environ. Toxicol. Chem., 18, 1905-1912, 1999a.
  • 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.
  • Ferreira, M. M. C.: Polycyclic aromatic hydrocarbons: a QSPR study, Chemosphere, 44, 125-146, doi:10.1016/S0045-6535(00)00275-7, 2001.
  • 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.
  • 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.
  • Lee, H., Kim, H.-J., and Kwon, J.-H.: Determination of Henry's law constant using diffusion in air and water boundary layers, J. Chem. Eng. Data, 57, 3296-3302, doi:10.1021/JE300954S, 2012.
  • 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.
  • Ma, Y.-G., Lei, Y. D., Xiao, H., Wania, F., and Wang, W.-H.: Critical review and recommended values for the physical-chemical property data of 15 polycyclic aromatic hydrocarbons at 25 ° C, J. Chem. Eng. Data, 55, 819-825, doi:10.1021/JE900477X, 2010.
  • 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.
  • Petrasek, A. C., Kugelman, I. J., Austern, B. M., Pressley, T. A., Winslow, L. A., and Wise, R. H.: Fate of toxic organic compounds in wastewater treatment plants, J. Water Pollut. Control Fed., 55, 1286-1296, 1983.
  • 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.
  • 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.
  • Smith, J. R., Neuhauser, E. F., Middleton, A. C., Cunningham, J. J., Weightman, R. L., and Linz, D. G.: Treatment of organically contaminated groundwaters in municipal activated sludge systems, Water Environ. Res., 65, 804-818, doi:10.2175/WER.65.7.2, 1993.
  • Southworth, G. R.: The role of volatilization in removing polycyclic aromatic hydrocarbons from aquatic environments, Bull. Environ. Contam. Toxicol., 21, 507-514, doi:10.1007/BF01685462, 1979.
  • Zhang, Z. and Pawliszyn, J.: Headspace solid-phase microextraction, Anal. Chem., 65, 1843-1852, doi:10.1021/AC00062A008, 1993.

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.
27) Value at T = 297 K.
140) Because of discrepancies between the values shown in Tables 4 and 5 of Shiu and Ma (2000), the data are not used here.
143) Literature-derived value.
144) Final adjusted value.

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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