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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

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) → Bromocarbons (C, H, O, N, Br) → hexabromobenzene

FORMULA:C6Br6
CAS RN:87-82-1
STRUCTURE
(FROM NIST):
InChIKey:CAYGQBVSOZLICD-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
9.3×10−2 Kuramochi et al. 2004 M
4.1×10−1 Kuramochi et al. 2014 V
7.1 Tittlemier et al. 2002 V
3.5×10−1 HSDB 2015 Q 38)
4.0×10−1 Xiao et al. 2012 Q
4.6×10−1 Zhang et al. 2010 Q 107) 108)
4.6×10−1 Zhang et al. 2010 Q 107) 109)
6.0×10−2 Zhang et al. 2010 Q 107) 110)
6.7×10−1 Zhang et al. 2010 Q 107) 111)
1.2×10−2 Hilal et al. 2008 Q

References

  • 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.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • Kuramochi, H., Maeda, K., and Kawamoto, K.: Measurements of water solubilities and 1-octanol/water partition coefficients and estimations of Henry's law constants for brominated benzenes, J. Chem. Eng. Data, 49, 720-724, doi:10.1021/JE0342724, 2004.
  • 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.
  • Xiao, H., Shen, L., Su, Y., Barresi, E., DeJong, M., Hung, H., Lei, Y.-D., Wania, F., Reiner, E. J., Sverko, E., and Kang, S.-C.: Atmospheric concentrations of halogenated flame retardants at two remote locations: The Canadian High Arctic and the Tibetan Plateau, Environ. Pollut., 161, 154-161, doi:10.1016/J.ENVPOL.2011.09.041, 2012.
  • 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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