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) → heptanoic acid

FORMULA:	C₇H₁₄O₂
CAS RN:	111-14-8
STRUCTURE (FROM NIST):
InChIKey:	MNWFXJYAOYHMED-UHFFFAOYSA-N

H^cp	d ln H^cp / d (1/T)	Reference	Type	Notes
[mol/(m³Pa)]	[K]
9.6		Brimblecombe et al. 1992	V
	8500	Abraham 1984	V
	8500	Abraham 1984	R	202)
1.7×10¹		Hilal et al. 2008	Q
	7800	Kühne et al. 2005	Q
	7900	Kühne et al. 2005	?
1.3×10¹		Abraham et al. 1990	?

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.
Abraham, M. H., Whiting, G. S., Fuchs, R., and Chambers, E. J.: Thermodynamics of solute transfer from water to hexadecane, J. Chem. Soc. Perkin Trans. 2, pp. 291-300, doi:10.1039/P29900000291, 1990.
Brimblecombe, P., Clegg, S. L., and Khan, I.: Thermodynamic properties of carboxylic acids relevant to their solubility in aqueous solutions, J. Aerosol Sci., 23, S901-S904, doi:10.1016/0021-8502(92)90557-C, 1992.
Hilal, S. H., Ayyampalayam, S. N., and 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.
Kühne, R., Ebert, R.-U., and 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.

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

202)	Abraham (1984) smoothed the values from a plot of enthalpy against carbon number.

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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