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 Please do not cite the old paper anymore.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

FORMULA:	C₁₂H₁₁Cl₂N₃O₂
CAS RN:	60207-31-0
STRUCTURE (FROM NIST):
InChIKey:	AKNQMEBLVAMSNZ-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
5.1×10⁴		Ebert et al. (2023)	?	319)

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

Ebert, R.-U., Kühne, R., & Schüürmann, G.: Henry’s law constant – a general-purpose fragment model to predict log K_aw from molecular structure, Environ. Sci. Technol., 57, 160–167, doi:10.1021/ACS.EST.2C05623 (2023).

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

319)	Ebert et al. (2023) present "curated experimental" Henry's law constants from the literature but do not provide any references. It is only mentioned that the value is from a single database or data collection and obtained from experimental vapor pressure and water solubility.

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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