MPG

Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany


Home

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 ConstantsOrganic species with chlorine (Cl)Polychlorinated biphenyls (PCBs) → 2,2',5,5'-tetrachlorobiphenyl

FORMULA:C12H6Cl4
TRIVIAL NAME: PCB-52
CAS RN:35693-99-3
STRUCTURE
(FROM NIST):
InChIKey:HCWZEPKLWVAEOV-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.5×10−2 6600 Li et al. 2003 L 143)
4.0×10−2 6800 Li et al. 2003 L 144)
3.2×10−2 3700 Bamford et al. 2000 M
4.2×10−2 6200 ten Hulscher et al. 1992 M
4.9×10−2 Brunner et al. 1990 M
2.9×10−2 Dunnivant et al. 1988 M
2.9×10−2 Dunnivant and Elzerman 1988 M 266)
4.1×10−2 Murphy et al. 1987 M 9)
8.2×10−2 Oliver 1985 M
1.1×10−2 Atlas et al. 1982 M 253)
Westcott et al. 1981 M 269)
3.7×10−3 5700 Paasivirta and Sinkkonen 2009 V
2.1×10−2 Mackay et al. 2006b V
2.1×10−2 Mackay et al. 1992a V
1.2×10−1 McLachlan et al. 1990 V 147)
2.1×10−2 Shiu and Mackay 1986 V
1.9×10−2 Burkhard et al. 1985 V
1.2×10−2 7700 Paasivirta et al. 1999 T
3.8×10−2 Murphy et al. 1983 X 267) 268)
7.9×10−2 Hilal et al. 2008 Q
9.7×10−2 Fang Lee 2007 Q 264)
4.6×10−2 Fang Lee 2007 Q 265)
4200 Kühne et al. 2005 Q
3.1×10−2 Dunnivant et al. 1992 Q
4900 Kühne et al. 2005 ?

References

  • Atlas, E., Foster, R., and Giam, C. S.: Air-sea exchange of high-molecular weight organic pollutants: laboratory studies, Environ. Sci. Technol., 16, 283-286, doi:10.1021/ES00099A010, 1982.
  • Bamford, H. A., Poster, D. L., and Baker, J. E.: Henry's law constants of polychlorinated biphenyl congeners and their variation with temperature, J. Chem. Eng. Data, 45, 1069-1074, doi:10.1021/JE0000266, 2000.
  • Brunner, S., Hornung, E., Santl, H., Wolff, E., Piringer, O. G., Altschuh, J., and Brüggemann, R.: Henry's law constants for polychlorinated biphenyls: Experimental determination and structure-property relationships, Environ. Sci. Technol., 24, 1751-1754, doi:10.1021/ES00081A021, 1990.
  • 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.
  • Dunnivant, F. M. and Elzerman, A. W.: Aqueous solubility and Henry's law constant data for PCB congeners for evaluation of quantitative structure-property relationships (QSPRs), Chemosphere, 17, 525-541, doi:10.1016/0045-6535(88)90028-8, 1988.
  • Dunnivant, F. M., Coates, J. T., and Elzerman, A. W.: Experimentally determined Henry's law constants for 17 polychlorobiphenyl congeners, Environ. Sci. Technol., 22, 448-453, doi:10.1021/ES00169A013, 1988.
  • Dunnivant, F. M., Elzerman, A. W., Jurs, P. C., and Hasan, M. N.: Quantitative structure-property relationships for aqueous solubilities and Henry's law constants of polychlorinated biphenyls, Environ. Sci. Technol., 26, 1567-1573, doi:10.1021/ES00032A012, 1992.
  • Fang Lee, F.: Comprehensive analysis, Henry's law constant determination, and photocatalytic degradation of polychlorinated biphenyls (PCBs) and/or other persistent organic pollutants (POPs), Ph.D. thesis, University at Albany, State University of New York, USA, 2007.
  • 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.
  • Li, N., Wania, F., Lei, Y. D., and Daly, G. L.: A comprehensive and critical compilation, evaluation, and selection of physical-chemical property data for selected polychlorinated biphenyls, J. Phys. Chem. Ref. Data, 32, 1545-1590, doi:10.1063/1.1562632, 2003.
  • 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. II of Halogenated Hydrocarbons , CRC/Taylor & Francis Group, 2006b.
  • 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.
  • Murphy, T. J., Pokojowczyk, J. C., and Mullin, M. D.: Vapor exchange of PCBs with Lake Michigan: The atmosphere as a sink for PCBs, in: Physical Behavior of PCBs in the Great Lakes, edited by Mackay, D., Patterson, S., Eisenreich, S. J., and Simmons, M. S., pp. 49-58, Ann Arbor Science, Ann Arbor, Mich., 1983.
  • Murphy, T. J., Mullin, M. D., and Meyer, J. A.: Equilibration of polychlorinated biphenyls and toxaphene with air and water, Environ. Sci. Technol., 21, 155-162, doi:10.1021/ES00156A005, 1987.
  • Oliver, B. G.: Desorption of chlorinated hydrocarbons from spiked and anthropogenically contaminated sediments, Chemosphere, 14, 1087-1106, doi:10.1016/0045-6535(85)90029-3, 1985.
  • Paasivirta, J. and Sinkkonen, S. I.: Environmentally relevant properties of all 209 polychlorinated biphenyl congeners for modeling their fate in different natural and climatic conditions, J. Chem. Eng. Data, 54, 1189-1213, doi:10.1021/JE800501H, 2009.
  • 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 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.
  • 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.
  • Westcott, J. W., Simon, C. G., and Bidleman, T. F.: Determination of polychlorinated biphenyl vapor pressures by a semimicro gas saturation method, Environ. Sci. Technol., 15, 1375-1378, doi:10.1021/ES00093A012, 1981.

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.
143) Literature-derived value.
144) Final adjusted value.
147) Value at T = 283 K.
253) As explained by Miller and Stuart (2003), the measurements were performed at 296 K.
264) Calculated with the principal component regression (PCR) method, see Fang Lee (2007) for details.
265) Calculated with the partial least-square regression (PLSR) method, see Fang Lee (2007) for details.
266) The same data were also published in Dunnivant et al. (1988).
267) Value given here as quoted by Dunnivant et al. (1988).
268) Value at "room temperature".
269) Westcott et al. (1981) give a range of 1.9×10−2 mol/(m3 Pa) < Hcp < 3.2×10−2 mol/(m3 Pa).

The numbers of the notes are the same as in Sander (2015). References cited in the notes can be found here.

* * *

Search Henry's Law Database

Species Search:

Identifier Search:

Reference Search:

* * *

Convert Henry's Law Constants

Convert:

* * *