MPG

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 → Hydrocarbons (C, H) → Polynuclear aromatics → benzo[a]pyrene

FORMULA:C20H12
TRIVIAL NAME: benz[a]pyrene
CAS RN:50-32-8
STRUCTURE
(FROM NIST):
InChIKey:FMMWHPNWAFZXNH-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.0×101 Ma et al. 2010 L 143)
1.3×101 Ma et al. 2010 L 144)
6.2 Lee et al. 2012 M
1.3×101 Altschuh et al. 1999 M
2.2×101 4700 ten Hulscher et al. 1992 M
2.2×101 Mackay et al. 2006a V
2.9×101 De Maagd et al. 1998 V 9)
2.2×101 Shiu and Mackay 1997 V
1.3×102 McLachlan et al. 1990 V 147)
1.8×101 Eastcott et al. 1988 V
1.9×101 Southworth 1979 V
8.2×10−1 8200 Paasivirta et al. 1999 T
1.6×10−3 110 Goldstein 1982 X 116)
2.0×101 Smith et al. 1993 C
8.2×10−4 Ryan et al. 1988 C
2.9 Hilal et al. 2008 Q
4900 Kühne et al. 2005 Q
4700 Kühne et al. 2005 ?
Shiu and Ma 2000 W 140)

References

  • Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., and Piringer, O. G.: Henry's law constants for a diverse set of organic chemicals: Experimental determination and comparison of estimation methods, Chemosphere, 39, 1871-1887, doi:10.1016/S0045-6535(99)00082-X, 1999.
  • De Maagd, P. G.-J., Ten Hulscher, D. T. E. M., van den Heuvel, H., Opperhuizen, A., and Sijm, D. T. H. M.: Physicochemical properties of polycyclic aromatic hydrocarbons: Aqueous solubilities, n-octanol/water partition coefficients, and Henry's law constants, Environ. Toxicol. Chem., 17, 251-257, 1998.
  • 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.
  • 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.
  • 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.
  • McLachlan, M., Mackay, D., and Jones, P. H.: A conceptual model of organic chemical volatilization at waterfalls, Environ. Sci. Technol., 24, 252-257, doi:10.1021/ES00072A015, 1990.
  • 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.
  • 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.
  • 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.
  • 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.
  • ten Hulscher, T. E. M., van der Velde, L. E., and Bruggeman, W. A.: Temperature dependence of Henry's law constants for selected chlorobenzenes, polychlorinated biphenyls and polycyclic aromatic hydrocarbons, Environ. Toxicol. Chem., 11, 1595-1603, doi:10.1897/1552-8618(1992)11[1595:TDOHLC]2.0.CO;2, 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

9) Value at T = 293 K.
116) Value given here as quoted by Staudinger and Roberts (1996).
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.
147) Value at T = 283 K.

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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