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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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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',4,4'-tetrachlorobiphenyl

FORMULA:C12H6Cl4
TRIVIAL NAME: PCB-47
CAS RN:2437-79-8
STRUCTURE
(FROM NIST):
InChIKey:QORAVNMWUNPXAO-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.1×10−1 Lau et al. (2006) M 262)
9.1×10−3 Lau et al. (2006) M 263)
1.8×10−1 -6000 Charles and Destaillats (2005) M
5.2×10−2 Brunner et al. (1990) M
2.0×10−2 6200 Paasivirta and Sinkkonen (2009) V
5.7×10−2 Mackay et al. (2006b) V
5.8×10−2 Mackay et al. (1992a) V
2.0×10−3 Hwang et al. (1992) V
5.9×10−2 Shiu and Mackay (1986) V
2.3×10−2 Burkhard et al. (1985) V
5.0×10−2 Hilal et al. (2008) Q
3.5×10−2 Fang Lee (2007) Q 264)
4.8×10−2 Fang Lee (2007) Q 265)
2.7×10−2 Dunnivant et al. (1992) Q
2.2×10−2 Sabljić and Güsten (1989) Q

References

  • Brunner, S., Hornung, E., Santl, H., Wolff, E., Piringer, O. G., Altschuh, J., & 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., & 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. & 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., & 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., & 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).
  • Hwang, Y.-L., Olson, J. D., & Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759–1768, doi:10.1021/IE00007A022 (1992).
  • Lau, F. K., Charles, M. J., & 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).
  • Mackay, D., Shiu, W. Y., & 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., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II of Halogenated Hydrocarbons, CRC/Taylor & Francis Group (2006b).
  • Paasivirta, J. & 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. & 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. & 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

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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