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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

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Errata

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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) → 2,3',5-trichlorobiphenyl

FORMULA:C12H7Cl3
TRIVIAL NAME: PCB-26
CAS RN:38444-81-4
STRUCTURE
(FROM NIST):
InChIKey:ONNCPBRWFSKDMQ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.5×10−2 4900 Bamford et al. 2002 M
3.0×10−2 Dunnivant et al. 1988 M
3.0×10−2 Dunnivant and Elzerman 1988 M 266)
2.9×10−2 Murphy et al. 1987 M 9)
2.2×10−2 5900 Paasivirta and Sinkkonen 2009 V
3.5×10−2 Burkhard et al. 1985 V
9.9×10−2 Hilal et al. 2008 Q
6.1×10−2 Fang Lee 2007 Q 264)
4.3×10−2 Fang Lee 2007 Q 265)
3.3×10−2 Dunnivant et al. 1992 Q
5.9×10−2 Meylan and Howard 1991 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.
  • 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.
  • Meylan, W. M. and Howard, P. H.: Bond contribution method for estimating Henry's law constants, Environ. Toxicol. Chem., 10, 1283-1293, doi:10.1002/ETC.5620101007, 1991.
  • 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.

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).

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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