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Henry's Law Constants

www.henrys-law.org

Rolf Sander

NEW: Version 5.0.0 has been published in October 2023

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 5.0.0) for water as solvent, Atmos. Chem. Phys., 23, 10901-12440 (2023), doi:10.5194/acp-23-10901-2023

The publication from 2023 replaces that from 2015, which is now obsolete. Please do not cite the old paper anymore.

Henry's Law Constants → Organic species with bromine (Br) → Polybrominated diphenyl ethers (PBDEs) → 4,4'-dibromodiphenyl ether

FORMULA:C12H8Br2O
TRIVIAL NAME: PBDE-15
CAS RN:2050-47-7
STRUCTURE
(FROM NIST):
InChIKey:YAWIAFUBXXPJMQ-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
8.3×10−2 Lau et al. (2006) M 721)
7.1×10−2 Lau et al. (2006) M 722)
7.3×10−2 4500 Charles and Destaillats (2005) M
4.8×10−2 Tittlemier et al. (2002) V
2.4×10−1 Wania and Dugani (2003) R
3.9×10−2 7400 Long et al. (2017) Q 288)
9.0×10−2 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

  • 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, URL https://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).
  • 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).
  • Long, J., Youli, Q., & Yu, L.: Effect analysis of quantum chemical descriptors and substituent characteristics on Henry’s law constants of polybrominated diphenyl ethers at different temperatures, Ecotoxicol. Environ. Saf., 145, 176–183, doi:10.1016/J.ECOENV.2017.07.024 (2017).
  • 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 (2023) for further details.

Notes

288) Data taken from the supplement.
721) Modified gas-stripping method (MGSM); see Lau et al. (2006) for details.
722) Integrated gas-stripping method (IGSM); see Lau et al. (2006) for details.

The numbers of the notes are the same as in Sander (2023). References cited in the notes can be found here.

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