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Henry's Law Constants

www.henrys-law.org

Rolf Sander

NEW: Version 5.0.0 has been published in October 2023

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 5.0.0) for water as solvent, Atmos. Chem. Phys., 23, 10901-12440 (2023), doi:10.5194/acp-23-10901-2023

The publication from 2023 replaces that from 2015, which is now obsolete. Please do not cite the old paper anymore.


Henry's Law ConstantsOrganic species with chlorine (Cl)Polychlorinated biphenyls (PCBs) → 2,2',3,3',4,4',5,6,6'-nonachlorobiphenyl

FORMULA:C12HCl9
TRIVIAL NAME: PCB-207
CAS RN:52663-79-3
STRUCTURE
(FROM NIST):
InChIKey:YGDPIDTZOQGPAX-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.8×10−3 7500 Paasivirta and Sinkkonen (2009) V
2.8×10−2 Burkhard et al. (1985) V
1.1×10−2 Bhangare et al. (2019) Q
3.3×10−1 Lee (2007) Q 723)
1.4 Lee (2007) Q 724)
5.8×10−2 Dunnivant et al. (1992) Q

Data

The first column contains Henry's law solubility constant Hscp at the reference temperature of 298.15 K.
The second column contains the temperature dependence d ln Hs cp / d (1/T), also at the reference temperature.

References

  • Bhangare, R. C., Ajmal, P. Y., Rathod, T. D., Tiwari, M., & Sahu, S. K.: Experimental and theoretical determination of Henry’s law constant for polychlorinated biphenyls: its dependence on solubility and degree of chlorination, Arch. Environ. Contam. Toxicol., 76, 142–152, doi:10.1007/S00244-018-0577-Z (2019).
  • 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).
  • 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).
  • Lee, F. 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, ISBN 978-0-549-42141-2 (2007).
  • 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).

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 (2023) for further details.

Notes

723) Calculated with the principal component regression (PCR) method; see Lee (2007) for details.
724) Calculated with the partial least-square regression (PLSR) method; see Lee (2007) for details.

The numbers of the notes are the same as in Sander (2023). References cited in the notes can be found here.

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