MPG

Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany


Home

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 ConstantsOrganic species with bromine (Br)Polybrominated diphenyl ethers (PBDEs) → 2,2',4,4',5-pentabromodiphenyl ether

FORMULA:C12H5Br5O
TRIVIAL NAME: PBDE-99
CAS RN:60348-60-9
STRUCTURE
(FROM NIST):
InChIKey:WHPVYXDFIXRKLN-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
6.2×10−1 Lau et al. 2006 M 262)
3.3×10−1 Lau et al. 2006 M 263)
1.5 8800 Cetin and Odabasi 2005 M
2.7×10−1 -6700 Charles and Destaillats 2005 M
2.1 Kuramochi et al. 2014 V
4.3 Tittlemier et al. 2002 V
1.9 Wania and Dugani 2003 R
8.4 Zhang et al. 2010 Q 107) 108)
3.7 Zhang et al. 2010 Q 107) 109)
1.2×102 Zhang et al. 2010 Q 107) 110)
2.4×101 Zhang et al. 2010 Q 107) 111)
4.3×10−1 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.
  • 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.
  • 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.
  • 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.
  • 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.
  • 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

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.
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.

* * *

Search Henry's Law Database

Species Search:

Identifier Search:

Reference Search:

* * *

Convert Henry's Law Constants

Convert:

* * *