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Henry's Law Constants

Rolf Sander

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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 → Organic species with chlorine (Cl) → Polychlorinated biphenyls (PCBs) → 2,4'-dichlorobiphenyl

FORMULA:C12H8Cl2
TRIVIAL NAME: PCB-8
CAS RN:34883-43-7
STRUCTURE
(FROM NIST):
InChIKey:UFNIBRDIUNVOMX-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.8×10−2 6000 Li et al. 2003 L 143)
4.4×10−2 6300 Li et al. 2003 L 144)
2.6×10−2 Lau et al. 2006 M 262)
1.9×10−2 Lau et al. 2006 M 263)
2.3×10−2 5300 Charles and Destaillats 2005 M
4.0×10−2 5300 Bamford et al. 2000 M
3.5×10−2 Murphy et al. 1987 M 9)
1.0×10−2 Atlas et al. 1982 M 253)
2.2×10−2 5600 Paasivirta and Sinkkonen 2009 V
1.1×10−2 Shiu and Mackay 1986 V
4.0×10−2 Burkhard et al. 1985 V
5.7×10−2 Hilal et al. 2008 Q
1.7×10−2 Fang Lee 2007 Q 264)
3.4×10−2 Fang Lee 2007 Q 265)
4700 Kühne et al. 2005 Q
3.3×10−2 Dunnivant et al. 1992 Q
3.2×10−2 Sabljić and Güsten 1989 Q
5600 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.
  • 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.
  • Charles, M. J. and Destaillats, H.: Experimental determinations of Henry's law constants of polybrominated diphenyl ethers (PBDEs) to evaluate exposure to aquatic biota, technical Completion Report, University of California Water Resources Center, UC Berkeley, http://escholarship.org/uc/item/9zv0s4np, 2005.
  • 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.
  • Lau, F. K., Charles, M. J., and Cahill, T. M.: Evaluation of gas-stripping methods for the determination of Henry's law constants for polybrominated diphenyl ethers and polychlorinated biphenyls, J. Chem. Eng. Data, 51, 871-878, doi:10.1021/JE050308B, 2006.
  • 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.
  • 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.
253) As explained by Miller and Stuart (2003), the measurements were performed at 296 K.
262) Modified gas-stripping method (MGSM), see Lau et al. (2006) for details.
263) Integrated gas-stripping method (IGSM), see Lau et al. (2006) for details.
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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