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 Please do not cite the old paper anymore.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) → Aldehydes (RCHO) → 2-methylbutanal

FORMULA:	C₅H₁₀O
CAS RN:	96-17-3
STRUCTURE (FROM NIST):
InChIKey:	BYGQBDHUGHBGMD-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
2.5×10⁻²	5600	Brockbank (2013)	L
2.3×10⁻²		Pollien et al. (2003)	M
5.9×10⁻²		Wang et al. (2017)	Q	81) 239)
8.7×10⁻²		Wang et al. (2017)	Q	81) 240)
3.9×10⁻²		Wang et al. (2017)	Q	81) 241)
9.5×10⁻³		Hertel et al. (2007)	Q	469)

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

Brockbank, S. A.: Aqueous Henry’s law constants, infinite dilution activity coefficients, and water solubility: critically evaluated database, experimental analysis, and prediction methods, Ph.D. thesis, Brigham Young University, USA, URL https://scholarsarchive.byu.edu/etd/3691/ (2013).
Hertel, M. O., Scheuren, H., Sommer, K., & Glas, K.: Limiting separation factors and limiting activity coefficients for hexanal, 2-methylbutanal, 3-methylbutanal, and dimethylsulfide in water at (98.1 to 99.0)∘C, J. Chem. Eng. Data, 52, 148–150, doi:10.1021/JE060324O (2007).
Pollien, P., Jordan, A., Lindinger, W., & Yeretzian, C.: Liquid-air partitioning of volatile compounds in coffee: dynamic measurements using proton-transfer-reaction mass spectrometry, Int. J. Mass Spectrom., 228, 69–80, doi:10.1016/S1387-3806(03)00197-0 (2003).
Wang, C., Yuan, T., Wood, S. A., Goss, K.-U., Li, J., Ying, Q., & Wania, F.: Uncertain Henry’s law constants compromise equilibrium partitioning calculations of atmospheric oxidation products, Atmos. Chem. Phys., 17, 7529–7540, doi:10.5194/ACP-17-7529-2017 (2017).

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

81)	Value at T = 288 K.
239)	Calculated using linear free energy relationships (LFERs).
240)	Calculated using SPARC Performs Automated Reasoning in Chemistry (SPARC).
241)	Calculated using COSMOtherm.
469)	Value at T = 372 K.

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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