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 Please do not cite the old paper anymore.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) → Chlorocarbons with nitrogen (C, H, O, N, Cl) → terbuthylazine

FORMULA:	C₉H₁₆ClN₅
CAS RN:	5915-41-3
STRUCTURE (FROM NIST):
InChIKey:	FZXISNSWEXTPMF-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
4.3×10²		HSDB (2015)	V
2.5×10²		Mackay et al. (2006d)	V
2.5×10²		Otto et al. (1997)	V
2.4×10²		Siebers et al. (1994)	V
2.9×10²		Hilal et al. (2008)	Q
9.0×10²		Abraham et al. (2007)	Q
4.3×10²		Maniere et al. (2011)	?	166) 242)

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

Abraham, M. A., Enomoto, K., Clarke, E. D., Rosés, M., Ràfols, C., & Fuguet, E.: Henry’s law constants or air to water partition coefficients for 1,3,5-triazines by an LFER method, J. Environ. Monit., 9, 234–239, doi:10.1039/B617181H (2007).
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).
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).
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).
Maniere, I., Bouneb, F., Fastier, A., Courty, B., Dumenil, J., Poupard, M., & Mercier, T.: AGRITOX-Database on pesticide active substances, Toxicol. Lett., 205S, S231–S232, doi:10.1016/J.TOXLET.2011.05.792, URL https://www.data.gouv.fr/fr/datasets/base-de-donnees-agritox (2011).
Otto, S., Riello, L., Düring, R.-A., Hummel, H. E., & Zanin, G.: Herbicide dissipation and dynamics modelling in three different tillage systems, Chemosphere, 34, 163–178, doi:10.1016/S0045-6535(96)00356-6 (1997).
Siebers, J., Gottschild, D., & Nolting, H.-G.: Pesticides in precipitation in northern Germany, Chemosphere, 28, 1559–1570, doi:10.1016/0045-6535(94)90249-6 (1994).

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

166)	Data taken from the AGRITOX database file agritox-20210608.zip.
242)	Temperature is not specified.

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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