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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',3,4,4',5'-hexachlorobiphenyl

FORMULA:C12H4Cl6
TRIVIAL NAME: PCB-138
CAS RN:35065-28-2
STRUCTURE
(FROM NIST):
InChIKey:RPUMZMSNLZHIGZ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.5×10−2 7100 Li et al. 2003 L 143)
3.3×10−2 7700 Li et al. 2003 L 144)
2.2×10−2 10000 Bamford et al. 2000 M
4.7×10−1 Brunner et al. 1990 M
1.3×10−1 Murphy et al. 1987 M 9)
1.8×10−2 6800 Paasivirta and Sinkkonen 2009 V
1.2×10−2 Shiu and Mackay 1986 V
9.1×10−2 Burkhard et al. 1985 V
4.7×10−2 8700 Paasivirta et al. 1999 T
1.8×10−1 Hilal et al. 2008 Q
1.6×10−1 Fang Lee 2007 Q 264)
1.8×10−1 Fang Lee 2007 Q 265)
7.6×10−2 Dunnivant et al. 1992 Q
9.2×10−2 Sabljić and Güsten 1989 Q

References

  • 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., 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.
  • 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.
  • 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.
  • 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.
  • Sabljić, A. and Güsten, H.: Predicting Henry's law constants for polychlorinated biphenyls, Chemosphere, 19, 1503-1511, doi:10.1016/0045-6535(89)90495-5, 1989.
  • 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.
143) Literature-derived value.
144) Final adjusted value.
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.

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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