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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',4,4',5,5'-hexabromodiphenyl ether

FORMULA:C12H4Br6O
TRIVIAL NAME: PBDE-153
CAS RN:68631-49-2
STRUCTURE
(FROM NIST):
InChIKey:RZXIRSKYBISPGF-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.5 7800 Cetin and Odabasi 2005 M
6.1 Kuramochi et al. 2014 V
1.5×101 Tittlemier et al. 2002 V
2.9 Wania and Dugani 2003 R
8.4×10−1 Hilal et al. 2008 Q

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.
  • 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.
  • Kuramochi, H., Takigami, H., Scheringer, M., and Sakai, S.: Measurement of vapor pressures of selected PBDEs, hexabromobenzene, and 1,2-bis(2,4,6-tribromophenoxy)ethane at elevated temperatures, J. Chem. Eng. Data, 59, 8-15, doi:10.1021/JE400520E, 2014.
  • Tittlemier, S. A., Halldorson, T., Stern, G. A., and Tomy, G. T.: Vapor pressures, aqueous solubilities, and Henry's law constants of some brominated flame retardants, Environ. Toxicol. Chem., 21, 1804-1810, doi:10.1002/ETC.5620210907, 2002.
  • Wania, F. and Dugani, C. B.: Assessing the long-range transport potential of polybrominated diphenyl ethers: A comparison of four multimedia models, Environ. Toxicol. Chem., 22, 1252-1261, doi:10.1002/ETC.5620220610, 2003.

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

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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