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 Please do not cite the old paper anymore.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 sulfur (S) → Sulfur (C, H, O, N, Cl, S) → S-(4-chlorobenzyl) diethylthiocarbamate

FORMULA:	C₁₂H₁₆ClNOS
TRIVIAL NAME:	thiobencarb
CAS RN:	28249-77-6
STRUCTURE (FROM NIST):
InChIKey:	QHTQREMOGMZHJV-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
1.9×10¹		Watanabe (1993)	M
4.9		Kawamoto and Urano (1989)	M
3.7×10¹		HSDB (2015)	V
5.8×10¹		Woodrow et al. (1990)	V	12)
3.7×10¹		Armbrust (2000)	C
		Mackay et al. (2006d)	W	819)

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

Armbrust, K. L.: Pesticide hydroxyl radical rate constants: Measurements and estimates of their importance in aquatic environments, Environ. Toxicol. Chem., 19, 2175–2180, doi:10.1002/ETC.5620190905 (2000).
HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL https://www.nlm.nih.gov/toxnet/Accessing_HSDB_Content_from_PubChem.html (2015).
Kawamoto, K. & Urano, K.: Parameters for predicting fate of organochlorine pesticides in the environment (I) Octanol-water and air–water partition coefficients, Chemosphere, 18, 1987–1996, doi:10.1016/0045-6535(89)90482-7 (1989).
Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Nitrogen and Sulfur Containing Compounds and Pesticides, CRC/Taylor & Francis Group, doi:10.1201/9781420044393 (2006d).
Watanabe, T.: Relationship between volatilization rates and physicochemical properties of some pesticides, J. Pestic. Sci., 18, 201–209, doi:10.1584/JPESTICS.18.3_201 (1993).
Woodrow, J. E., McChesney, M. M., & Seiber, J. N.: Modeling the volatilization of pesticides and their distribution in the atmosphere, in: Long Range Transport of Pesticides, edited by Kurtz, D. A., pp. 61–81, CRC Press (1990).

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

12)	Value at T = 293 K.
819)	Mackay et al. (2006d) list two values for thiobencarb which differ by a large factor. It is unclear which number is correct (if any), and the data are not reproduced here.

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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