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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 bromine (Br) → Polybrominated diphenyl ethers (PBDEs) → 4-bromodiphenyl ether

FORMULA:C12H9BrO
TRIVIAL NAME: PBDE-3
CAS RN:101-55-3
STRUCTURE
(FROM NIST):
InChIKey:JDUYPUMQALQRCN-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
5.0×10−2 Lau et al. 2006 M 262)
4.3×10−2 Lau et al. 2006 M 263)
5.8×10−2 5500 Charles and Destaillats 2005 M
9.6×10−2 Mackay et al. 1993 V
8.2×10−2 HSDB 2015 Q 38)

References

  • 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.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • 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.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Volatile Organic Chemicals , Lewis Publishers, Boca Raton, 1993.

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

38) Calculated based on the method by Meylan and Howard (1991).
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.

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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