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 Please do not cite the old paper anymore.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) → molinate

FORMULA:	C₉H₁₇NOS
CAS RN:	2212-67-1
STRUCTURE (FROM NIST):
InChIKey:	DEDOPGXGGQYYMW-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
7.7		Watanabe (1993)	M
2.2		Sagebiel et al. (1992)	M	12)
1.7	7300	Sagebiel et al. (1992)	M
6.9		Mackay et al. (2006d)	V
1.1×10¹		Sagebiel et al. (1992)	V	12)
1.0×10¹		Woodrow et al. (1990)	V
7.6		Armbrust (2000)	C
7.3		Hilal et al. (2008)	Q
2.3		Modarresi et al. (2007)	Q	68)

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).
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).
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).
Modarresi, H., Modarress, H., & Dearden, J. C.: QSPR model of Henry’s law constant for a diverse set of organic chemicals based on genetic algorithm-radial basis function network approach, Chemosphere, 66, 2067–2076, doi:10.1016/J.CHEMOSPHERE.2006.09.049 (2007).
Sagebiel, J. C., Seiber, J. N., & Woodrow, J. E.: Comparison of headspace and gas-stripping methods for determining the Henry’s law constant (H) for organic compounds of low to intermediate H, Chemosphere, 25, 1763–1768, doi:10.1016/0045-6535(92)90017-L (1992).
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.
68)	Modarresi et al. (2007) use different descriptors for their calculations. They conclude that a genetic algorithm/radial basis function network (GA/RBFN) is the best QSPR model. Only these results are shown 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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