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 Please do not cite the old paper anymore.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) → Nitriles with oxygen (C, H, O, N) → isocyanic acid

FORMULA:	HNCO
CAS RN:	75-13-8
STRUCTURE (FROM NIST):
InChIKey:	OWIKHYCFFJSOEH-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
2.0×10⁻¹	4700	Roberts and Liu (2019)	M	592)
2.6×10⁻¹	4100	Borduas et al. (2016)	M	593)
2.1×10⁻¹		Roberts et al. (2011)	M
		Burkholder et al. (2019)	W	594)

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

Borduas, N., Place, B., Wentworth, G. R., Abbatt, J. P. D., & Murphy, J. G.: Solubility and reactivity of HNCO in water: insights into HNCO’s fate in the atmosphere, Atmos. Chem. Phys., 16, 703–714, doi:10.5194/ACP-16-703-2016 (2016).
Burkholder, J. B., Sander, S. P., Abbatt, J., Barker, J. R., Cappa, C., Crounse, J. D., Dibble, T. S., Huie, R. E., Kolb, C. E., Kurylo, M. J., Orkin, V. L., Percival, C. J., Wilmouth, D. M., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 19, JPL Publication 19-5, Jet Propulsion Laboratory, Pasadena, URL https://jpldataeval.jpl.nasa.gov (2019).
Roberts, J. M. & Liu, Y.: Solubility and solution-phase chemistry of isocyanic acid, methyl isocyanate, and cyanogen halides, Atmos. Chem. Phys., 19, 4419–4437, doi:10.5194/ACP-19-4419-2019 (2019).
Roberts, J. M., Veres, P. R., Cochran, A. K., Warneke, C., Burling, I. R., Yokelson, R. J., Lerner, B., Gilman, J. B., Kuster, W. C., Fall, R., & de Gouw, J.: Isocyanic acid in the atmosphere and its possible link to smoke-related health effects, Proc. Natl. Acad. Sci. USA, 108, 8966–8971, doi:10.1073/PNAS.1103352108 (2011).

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

592)	The value at T^⊖ is the intrinsic Henry's law constant, but the temperature dependence refers to the effective Henry's law constant at pH = 3.0.
593)	The value at T^⊖ is the intrinsic Henry's law constant, but the temperature dependence refers to the effective Henry's law constant at pH = 3.08.
594)	Burkholder et al. (2019) refer to Borduas et al. (2016), but the quoted temperature dependence cannot be found there.

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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