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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 bromine (Br)Polybrominated diphenyl ethers (PBDEs) → 2,2',3,3',4,4',5,5',6,6'-decabromodiphenyl ether

FORMULA:C12Br10O
TRIVIAL NAME: PBDE-209
CAS RN:1163-19-5
STRUCTURE
(FROM NIST):
InChIKey:WHHGLZMJPXIBIX-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.8×101 7900 Cetin and Odabasi 2005 M
8.2×102 HSDB 2015 Q 38)
8.2×102 Zhang et al. 2010 Q 107) 108)
4.1×102 Zhang et al. 2010 Q 107) 109)
1.3×103 Zhang et al. 2010 Q 107) 110)
6.7×102 Zhang et al. 2010 Q 107) 111)

References

  • Cetin, B. and Odabasi, M.: Measurement of Henry's law constants of seven polybrominated diphenyl ether (PBDE) congeners as a function of temperature, Atmos. Environ., 39, 5273-5280, doi:10.1016/J.ATMOSENV.2005.05.029, 2005.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • Zhang, X., Brown, T. N., Wania, F., Heimstad, E. S., and Goss, K.-U.: Assessment of chemical screening outcomes based on different partitioning property estimation methods, Environ. Int., 36, 514-520, doi:10.1016/J.ENVINT.2010.03.010, 2010.

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).
107) Data taken from the supplement.
108) Calculated using the EPI Suite (v4.0) method.
109) Calculated using the SPARC (v4.2) method.
110) Calculated using the COSMOtherm (v2.1) method.
111) Calculated using the ABSOLV (ADMEBoxes v4.1) method.

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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