Henry's Law Constants

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

Errata

Contact, Imprint, Acknowledgements

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 Please do not cite the old paper anymore.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) → 2,3,3',5,5'-pentabromodiphenyl ether

FORMULA:	C₁₂H₅Br₅O
TRIVIAL NAME:	PBDE-111
CAS RN:	446254-74-6
STRUCTURE (FROM NIST):
InChIKey:	PCHDCOXHJBWEPW-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
2.1	7400	Long et al. (2017)	Q	288)

Data

The first column contains Henry's law solubility constant

H_{s}^{cp}

at the reference temperature of 298.15 K.
The second column contains the temperature dependence

d ln H_{s}^{cp} / d
(1/ T)

, also at the reference temperature.

References

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).

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.

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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