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 Please do not cite the old paper anymore.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 oxygen (O) → Esters (RCOOR) → methyl decanoate

FORMULA:	C₁₁H₂₂O₂
TRIVIAL NAME:	methyl caprate
CAS RN:	110-42-9
STRUCTURE (FROM NIST):
InChIKey:	YRHYCMZPEVDGFQ-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
1.1×10⁻²		Aprea et al. (2007)	M
4.8×10⁻³		Duchowicz et al. (2020)	V	187)
1.4×10⁻²		Krop et al. (1997)	V
3.2×10⁻³		Abraham (1984)	V
2.8×10⁻¹		Duchowicz et al. (2020)	Q
5.8×10⁻³		HSDB (2015)	Q	100)
7.7×10⁻³		Hilal et al. (2008)	Q

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. H.: Thermodynamics of solution of homologous series of solutes in water, J. Chem. Soc. Faraday Trans. 1, 80, 153–181, doi:10.1039/F19848000153 (1984).
Aprea, E., Biasioli, F., Märk, T. D., & Gasperi, F.: PTR-MS study of esters in water and water/ethanol solutions: Fragmentation patterns and partition coefficients, Int. J. Mass Spectrom., 262, 114–121, doi:10.1016/J.IJMS.2006.10.016 (2007).
Duchowicz, P. R., Aranda, J. F., Bacelo, D. E., & Fioressi, S. E.: QSPR study of the Henry’s law constant for heterogeneous compounds, Chem. Eng. Res. Des., 154, 115–121, doi:10.1016/J.CHERD.2019.12.009 (2020).
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).
Krop, H. B., van Velzen, M. J. M., Parsons, J. R., & Govers, H. A. J.: n-Octanol-water partition coefficients, aqueous solubilities and Henry’s law constants of fatty acid esters, Chemosphere, 34, 107–119, doi:10.1016/S0045-6535(96)00371-2 (1997).

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

100)	Calculated based on the method by Meylan and Howard (1991).
187)	Estimation based on the quotient between vapor pressure and water solubility, extracted from HENRYWIN.

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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