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 Please do not cite the old paper anymore.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 chlorine (Cl) → Polychlorinated diphenyl ethers (PCDEs) → 2,2',3,4,4',5'-hexachlorodiphenyl ether

FORMULA:	C₁₂H₄Cl₆O
TRIVIAL NAME:	PCDE-138
CAS RN:	71585-36-9
STRUCTURE (FROM NIST):
InChIKey:	PHSJJYZIFPWCLZ-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type
[mol/(m³Pa)]	[K]
2.9×10⁻²		Kurz and Ballschmiter (1999)	V
2.8×10⁻²	6500	Paasivirta et al. (1999)	T

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

Kurz, J. & Ballschmiter, K.: Vapour pressures, aqueous solubilities, Henry’s law constants, partition coefficients between gas/water (K_gw), n-octanol/water (K_ow) and gas/n-octanol (K_go) of 106 polychlorinated diphenyl ethers (PCDE), Chemosphere, 38, 573–586, doi:10.1016/S0045-6535(98)00212-4 (1999).
Paasivirta, J., Sinkkonen, S., Mikkelson, P., Rantio, T., & Wania, F.: Estimation of vapor pressures, solubilities and Henry’s law constants of selected persistent organic pollutants as functions of temperature, Chemosphere, 39, 811–832, doi:10.1016/S0045-6535(99)00016-8 (1999).

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

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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