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 Please do not cite the old paper anymore.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) → 4-chlorodiphenyl ether

FORMULA:	C₁₂H₉ClO
TRIVIAL NAME:	PCDE-3
CAS RN:	7005-72-3
STRUCTURE (FROM NIST):
InChIKey:	PGPNJCAMHOJTEF-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
1.1×10⁻¹		Kurz and Ballschmiter (1999)	V
4.5×10⁻²		Mackay et al. (1993)	V
9.0×10⁻²		Howard and Meylan (1997)	X	448)
4.0×10⁻²		Ryan et al. (1988)	C
3.1×10⁻²		Hilal et al. (2008)	Q

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

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).
Howard, P. H. & Meylan, W. M.: Handbook of physical properties of organic chemicals, CRC Press, Lewis Publisher, Boca Raton, FL, ISBN 1566702275 (1997).
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).
Mackay, D., Shiu, W. Y., & Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Volatile Organic Chemicals, Lewis Publishers, Boca Raton, ISBN 0873719735 (1993).
Ryan, J. A., Bell, R. M., Davidson, J. M., & O’Connor, G. A.: Plant uptake of non-ionic organic chemicals from soils, Chemosphere, 17, 2299–2323, doi:10.1016/0045-6535(88)90142-7 (1988).

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

448)	Value given here as quoted by Hilal et al. (2008).

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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