Henry's Law Constants

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

Errata

Contact, Impressum, Acknowledgements

When referring to the compilation of Henry's Law Constants, please cite this publication:

R. Sander: Compilation of Henry's law constants (version 4.0) for water as solvent, Atmos. Chem. Phys., 15, 4399-4981 (2015), doi:10.5194/acp-15-4399-2015

Henry's Law Constants → Organic species with oxygen (O) → Carboxylic acids (RCOOH) and peroxy carboxylic acids (RCOOOH) → benzenecarboxylic acid

FORMULA:	C₆H₅COOH
TRIVIAL NAME:	benzoic acid
CAS RN:	65-85-0
STRUCTURE (FROM NIST):
InChIKey:	WPYMKLBDIGXBTP-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	Reference	Type	Notes
[mol/(m³Pa)]	[K]
2.9×10²		Li et al. (2007)	M
2.5×10²		Mackay et al. (2006c)	V
1.4×10²		Lide and Frederikse (1995)	V
2.1		Mackay et al. (1995)	V
1.7×10²		Meylan and Howard (1991)	V
1.4×10²	6500	Goldstein (1982)	X	116)
1.4×10²		Howard (1989)	X	164)
2.4×10²		Hilal et al. (2008)	Q
	6700	Kühne et al. (2005)	Q
9.1×10¹		Meylan and Howard (1991)	Q
	6200	Kühne et al. (2005)	?
2.4×10²		Yaws and Yang (1992)	?	92)

References

Goldstein, D. J.: Air and steam stripping of toxic pollutants, Appendix 3: Henry’s law constants, Tech. Rep. EPA-68-03-002, Industrial Environmental Research Laboratory, Cincinnati, OH, USA (1982).
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).
Howard, P. H.: Handbook of Environmental fate and exposure data for organic chemicals. Vol. I: Large production and priority pollutants, Lewis Publishers Inc. Chelsea, Michigan (1989).
Kühne, R., Ebert, R.-U., & Schüürmann, G.: Prediction of the temperature dependency of Henry’s law constant from chemical structure, Environ. Sci. Technol., 39, 6705–6711, doi:10.1021/ES050527H (2005).
Lide, D. R. & Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL (1995).
Li, H., Ellis, D., & Mackay, D.: Measurement of low air-water partition coefficients of organic acids by evaporation from a water surface, J. Chem. Eng. Data, 52, 1580–1584, doi:10.1021/JE600556D (2007).
Mackay, D., Shiu, W. Y., & Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds, Lewis Publishers, Boca Raton (1995).
Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds, CRC/Taylor & Francis Group (2006c).
Meylan, W. M. & Howard, P. H.: Bond contribution method for estimating Henry’s law constants, Environ. Toxicol. Chem., 10, 1283–1293, doi:10.1002/ETC.5620101007 (1991).
Yaws, C. L. & Yang, H.-C.: Henry’s law constant for compound in water, in: Thermodynamic and Physical Property Data, edited by Yaws, C. L., pp. 181–206, Gulf Publishing Company, Houston, TX (1992).

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 (2015) for further details.

Notes

92)	Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
116)	Value given here as quoted by Staudinger and Roberts (1996).
164)	Value given here as quoted by Mackay et al. (1995).

The numbers of the notes are the same as in Sander (2015). References cited in the notes can be found here.

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