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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


A new version is currently under peer review:

R. Sander: Compilation of Henry's law constants (version 5.0.0-rc.0) for water as solvent, doi:10.5194/egusphere-2023-1584

The database on this web page will be updated to version 5.0.0 when the peer review of the manuscript is completed.


Henry's Law ConstantsOrganic species with bromine (Br)Polybrominated diphenyl ethers (PBDEs) → 2,2',4,4'-tetrabromodiphenyl ether

FORMULA:C12H6Br4O
TRIVIAL NAME: PBDE-47
CAS RN:5436-43-1
STRUCTURE
(FROM NIST):
InChIKey:XYBSIYMGXVUVGY-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.6×10−1 Lau et al. (2006) M 262)
1.7×10−1 Lau et al. (2006) M 263)
8.7×10−1 7300 Cetin and Odabasi (2005) M
1.7×10−1 620 Charles and Destaillats (2005) M
9.3×10−1 Kuramochi et al. (2014) V
6.7×10−1 Tittlemier et al. (2002) V
9.0×10−1 Wania and Dugani (2003) R
2.2×10−1 Hilal et al. (2008) Q

Data

The first column contains Henry's law solubility constant Hscp at the reference temperature of 298.15 K.
The second column contains the temperature dependence d ln Hs cp / d (1/T), also at the reference temperature.

References

  • Cetin, B. & 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. & 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., & 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., & 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., & 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., & 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. & 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

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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