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 Please do not cite the old paper anymore.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) → Carboxylic acids (RCOOH) and peroxy carboxylic acids (RCOOOH) → pentanedioic acid

FORMULA:	HOOC(CH₂)₃COOH
TRIVIAL NAME:	glutaric acid
CAS RN:	110-94-1
STRUCTURE (FROM NIST):
InChIKey:	JFCQEDHGNNZCLN-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
3.8×10⁷		Burkholder et al. (2019)	L
3.8×10⁷		Burkholder et al. (2015)	L
1.9×10⁷		Mentel et al. (2004)	M
5.1×10⁷	12000	Compernolle and Müller (2014a)	V
2.4×10⁷	13000	Compernolle and Müller (2014a)	V
1.0×10⁵		Yaws (2003)	X	238) 498)
5.0×10⁶		Gharagheizi et al. (2012)	Q
4.9×10⁶		Raventos-Duran et al. (2010)	Q	244) 272)
3.9×10⁷		Raventos-Duran et al. (2010)	Q	245)
1.2×10⁶		Raventos-Duran et al. (2010)	Q	246)
3.5×10⁵		Gharagheizi et al. (2010)	Q	247)
2.2×10⁷		Hilal et al. (2008)	Q
2.3×10⁵		Modarresi et al. (2007)	Q	68)
2.0×10⁶		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

Burkholder, J. B., Sander, S. P., Abbatt, J., Barker, J. R., Huie, R. E., Kolb, C. E., Kurylo, M. J., Orkin, V. L., Wilmouth, D. M., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 18, JPL Publication 15-10, Jet Propulsion Laboratory, Pasadena, URL https://jpldataeval.jpl.nasa.gov (2015).
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).
Compernolle, S. & Müller, J.-F.: Henry’s law constants of diacids and hydroxy polyacids: recommended values, Atmos. Chem. Phys., 14, 2699–2712, doi:10.5194/ACP-14-2699-2014 (2014a).
Gharagheizi, F., Abbasi, R., & Tirandazi, B.: Prediction of Henry’s law constant of organic compounds in water from a new group-contribution-based model, Ind. Eng. Chem. Res., 49, 10 149–10 152, doi:10.1021/IE101532E (2010).
Gharagheizi, F., Eslamimanesh, A., Mohammadi, A. H., & Richon, D.: Empirical method for estimation of Henry’s law constant of non-electrolyte organic compounds in water, J. Chem. Thermodyn., 47, 295–299, doi:10.1016/J.JCT.2011.11.015 (2012).
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).
Mentel, T. F., Folkers, M., Tillmann, R., Henk, H., Wahner, A., Otjes, R., Blom, M., & ten Brink, H. M.: Determination of the Henry coefficients for organic aerosol components, Geophys. Res. Abstr., 6, 1525 (2004).
Modarresi, H., Modarress, H., & Dearden, J. C.: QSPR model of Henry’s law constant for a diverse set of organic chemicals based on genetic algorithm-radial basis function network approach, Chemosphere, 66, 2067–2076, doi:10.1016/J.CHEMOSPHERE.2006.09.049 (2007).
Raventos-Duran, T., Camredon, M., Valorso, R., Mouchel-Vallon, C., & Aumont, B.: Structure-activity relationships to estimate the effective Henry’s law constants of organics of atmospheric interest, Atmos. Chem. Phys., 10, 7643–7654, doi:10.5194/ACP-10-7643-2010 (2010).
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).
Yaws, C. L.: Yaws’ Handbook of Thermodynamic and Physical Properties of Chemical Compounds, Knovel: Norwich, NY, USA, ISBN 1591244447 (2003).

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

68)	Modarresi et al. (2007) use different descriptors for their calculations. They conclude that a genetic algorithm/radial basis function network (GA/RBFN) is the best QSPR model. Only these results are shown here.
238)	Value given here as quoted by Gharagheizi et al. (2010).
244)	Calculated using the GROMHE model.
245)	Calculated using the SPARC approach.
246)	Calculated using the HENRYWIN method.
247)	Calculated using a combination of a group contribution method and neural networks.
272)	Value from the validation dataset.
403)	Value obtained by Saxena and Hildemann (1996) using the group contribution method.
498)	Value at T = 338 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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