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 Please do not cite the old paper anymore.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) → Miscellaneous → 3,6-dioxaoctane-1,8-diol

FORMULA:	HO(CH₂CH₂O)₃H
TRIVIAL NAME:	triethylene glycol
CAS RN:	112-27-6
STRUCTURE (FROM NIST):
InChIKey:	ZIBGPFATKBEMQZ-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
1.1×10⁴		Olsen et al. (2016)	Q	427)
5.9×10³		Olsen et al. (2016)	Q	428)
6.7×10³		Olsen et al. (2016)	Q	429)
3.1×10⁵		HSDB (2015)	Q	100)
8.9×10⁹		Saxena and Hildemann (1996)	E	403)

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).
Olsen, R., Kvamme, B., & Kuznetsova, T.: Free energy of solvation and Henry’s law solubility constants for mono-, di- and tri-ethylene glycol in water and methane, Fluid Phase Equilib., 418, 152–159, doi:10.1016/J.FLUID.2015.10.019 (2016).
Saxena, P. & Hildemann, L. M.: Water-soluble organics in atmospheric particles: A critical review of the literature and application of thermodynamics to identify candidate compounds, J. Atmos. Chem., 24, 57–109, doi:10.1007/BF00053823 (1996).

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).
403)	Value obtained by Saxena and Hildemann (1996) using the group contribution method.
427)	Calculated using the free energy perturbation (FEP) method.
428)	Calculated using the thermodynamic integration (TI) method.
429)	Calculated using the Bennett acceptance ratio (BAR) method.

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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