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

FORMULA:C12H8Cl2
TRIVIAL NAME: PCB-4
CAS RN:13029-08-8
STRUCTURE
(FROM NIST):
InChIKey:JAYCNKDKIKZTAF-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
4.6×10−2 6000 Bamford et al. 2002 M
4.0×10−2 Fendinger and Glotfelty 1990 M
2.9×10−2 Dunnivant et al. 1988 M
2.9×10−2 Dunnivant and Elzerman 1988 M 266)
3.3×10−2 Murphy et al. 1987 M 9)
7.1×10−3 5500 Paasivirta and Sinkkonen 2009 V
1.7×10−2 Mackay et al. 2006b V
1.7×10−2 Mackay et al. 1992a V
1.7×10−2 Shiu and Mackay 1986 V
1.8×10−2 Burkhard et al. 1985 V
2.6×10−2 Chiou et al. 1980 V
4.5×10−2 Murphy et al. 1983 X 267) 268)
2.5×10−2 Hilal et al. 2008 Q
2.7×10−2 Fang Lee 2007 Q 264)
2.1×10−2 Fang Lee 2007 Q 265)
3.0×10−2 Dunnivant et al. 1992 Q

References

  • Bamford, H. A., Poster, D. L., Huie, R. E., and Baker, J. E.: Using extrathermodynamic relationships to model the temperature dependence of Henry's law constants of 209 PCB congeners, Environ. Sci. Technol., 36, 4395-4402, doi:10.1021/ES020599Y, 2002.
  • 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.
  • Chiou, C. T., Freed, V. H., Peters, L. J., and Kohnert, R. L.: Evaporation of solutes from water, Environ. Int., 3, 231-236, doi:10.1016/0160-4120(80)90123-3, 1980.
  • 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.
  • 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.
  • 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.
  • 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.
  • 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.
  • 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.

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.
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".

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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