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 Please do not cite the old paper anymore.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 nitrogen (N) → Heterocycles with oxygen and nitrogen (C, H, O, N) → pirimor

FORMULA:	C₁₁H₁₈N₄O₂
TRIVIAL NAME:	pirimicarb
CAS RN:	23103-98-2
STRUCTURE (FROM NIST):
InChIKey:	YFGYUFNIOHWBOB-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
1.2×10⁴		HSDB (2015)	V
3.1×10³		Mackay et al. (2006d)	V
5.0×10³		Siebers and Mattusch (1996)	V	12)
5.9×10³		Siebers et al. (1994)	V
3.1×10³		Suntio et al. (1988)	V	12)
3.4×10⁴		Maniere et al. (2011)	?	12) 166) 576)
3.0×10⁴		Maniere et al. (2011)	?	12) 166) 577)
3.0×10⁴		Maniere et al. (2011)	?	12) 166) 578)
2.8×10⁴		Maniere et al. (2011)	?	12) 166)

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

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).
Siebers, J. & Mattusch, P.: Determination of airborne residues in greenhouses after application of pesticides, Chemosphere, 33, 1597–1607, doi:10.1016/0045-6535(96)00279-2 (1996).
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).
Suntio, L. R., Shiu, W. Y., Mackay, D., Seiber, J. N., & Glotfelty, D.: Critical review of Henry’s law constants for pesticides, Rev. Environ. Contam. Toxicol., 103, 1–59, doi:10.1007/978-1-4612-3850-8_1 (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

12)	Value at T = 293 K.
166)	Data taken from the AGRITOX database file agritox-20210608.zip.
576)	At pH = 5.2.
577)	At pH = 7.4.
578)	At pH = 9.3.

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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