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 4.0) for water as solvent, Atmos. Chem. Phys., 15, 4399-4981 (2015), doi:10.5194/acp-15-4399-2015

A new version is currently under peer review:

R. Sander: Compilation of Henry's law constants (version 5.0.0-rc.0) for water as solvent, doi:10.5194/egusphere-2023-1584

The database on this web page will be updated to version 5.0.0 when the peer review of the manuscript is completed.

Henry's Law Constants → Hydrocarbons (C, H) → Cycloalkanes → cyclohexane

FORMULA:	C₆H₁₂
CAS RN:	110-82-7
STRUCTURE (FROM NIST):
InChIKey:	XDTMQSROBMDMFD-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
5.6×10⁻⁵		Mackay and Shiu (1981)	L
3.2×10⁻⁴	5400	Hiatt (2013)	M
8.0×10⁻⁵		Helburn et al. (2008)	M
5.2×10⁻⁵	4500	Dewulf et al. (1999)	M	114)
6.0×10⁻⁵		Hansen et al. (1993)	M	115)
5.4×10⁻⁵	3800	Kolb et al. (1992)	M	102)
3.4×10⁻⁵		Guitart et al. (1989)	M	19)
5.5×10⁻⁵	3200	Ashworth et al. (1988)	M	103)
5.4×10⁻⁵	3400	Tsonopoulos and Wilson (1983)	M
5.4×10⁻⁵	3800	Tucker et al. (1981)	M
5.3×10⁻⁵		Mackay et al. (2006a)	V
5.1×10⁻⁵		Mackay et al. (1993)	V
6.0×10⁻⁵		Hwang et al. (1992)	V
5.4×10⁻⁵		Eastcott et al. (1988)	V
5.1×10⁻⁵		Hine and Mookerjee (1975)	V
	4000	Gill et al. (1976)	T	100)
6.2×10⁻⁵	710	Goldstein (1982)	X	116)
9.5×10⁻⁵		Hilal et al. (2008)	Q
	3600	Kühne et al. (2005)	Q
4.5×10⁻⁵		Nirmalakhandan and Speece (1988a)	Q
	3900	Kühne et al. (2005)	?
5.1×10⁻⁵		Yaws and Yang (1992)	?	92)
5.1×10⁻⁵		Abraham et al. (1990)	?
5.1×10⁻⁵		Abraham (1979)	?

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

Abraham, M. H.: Free energies of solution of rare gases and alkanes in water and nonaqueous solvents. A quantitative assessment of the hydrophobic effect, J. Am. Chem. Soc., 101, 5477–5484, doi:10.1021/JA00513A004 (1979).
Abraham, M. H., Whiting, G. S., Fuchs, R., & 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).
Ashworth, R. A., Howe, G. B., Mullins, M. E., & Rogers, T. N.: Air-water partitioning coefficients of organics in dilute aqueous solutions, J. Hazard. Mater., 18, 25–36, doi:10.1016/0304-3894(88)85057-X (1988).
Dewulf, J., van Langenhove, H., & Everaert, P.: Determination of Henry’s law coefficients by combination of the equilibrium partitioning in closed systems and solid-phase microextraction techniques, J. Chromatogr. A, 830, 353–363, doi:10.1016/S0021-9673(98)00877-2 (1999).
Eastcott, L., Shiu, W. Y., & Mackay, D.: Environmentally relevant physical-chemical properties of hydrocarbons: A review of data and development of simple correlations, Oil Chem. Pollut., 4, 191–216, doi:10.1016/S0269-8579(88)80020-0 (1988).
Gill, S. J., Nichols, N. F., & Wadsö, I.: Calorimetric determination of enthalpies of solution of slightly soluble liquids II. Enthalpy of solution of some hydrocarbons in water and their use in establishing the temperature dependence of their solubilities, J. Chem. Thermodyn., 8, 445–452, doi:10.1016/0021-9614(76)90065-3 (1976).
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).
Guitart, R., Puigdemont, F., & Arboix, M.: Rapid headspace gas chromatographic method for the determination of liquid/gas partition coefficients, J. Chromatogr., 491, 271–280, doi:10.1016/S0378-4347(00)82845-5 (1989).
Hansen, K. C., Zhou, Z., Yaws, C. L., & Aminabhavi, T. M.: Determination of Henry’s law constants of organics in dilute aqueous solutions, J. Chem. Eng. Data, 38, 546–550, doi:10.1021/JE00012A017 (1993).
Helburn, R., Albritton, J., Howe, G., Michael, L., & Franke, D.: Henry’s law constants for fragrance and organic solvent compounds in aqueous industrial surfactants, J. Chem. Eng. Data, 53, 1071–1079, doi:10.1021/JE700418A (2008).
Hiatt, M. H.: Determination of Henry’s law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902–908, doi:10.1021/JE3010535 (2013).
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).
Hine, J. & Mookerjee, P. K.: The intrinsic hydrophilic character of organic compounds. Correlations in terms of structural contributions, J. Org. Chem., 40, 292–298, doi:10.1021/JO00891A006 (1975).
Hwang, Y.-L., Olson, J. D., & Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759–1768, doi:10.1021/IE00007A022 (1992).
Kolb, B., Welter, C., & Bichler, C.: Determination of partition coefficients by automatic equilibrium headspace gas chromatography by vapor phase calibration, Chromatographia, 34, 235–240, doi:10.1007/BF02268351 (1992).
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).
Mackay, D. & Shiu, W. Y.: A critical review of Henry’s law constants for chemicals of environmental interest, J. Phys. Chem. Ref. Data, 10, 1175–1199, doi:10.1063/1.555654 (1981).
Mackay, D., Shiu, W. Y., & Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Volatile Organic Chemicals, Lewis Publishers, Boca Raton (1993).
Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. I of Introduction and Hydrocarbons, CRC/Taylor & Francis Group (2006a).
Nirmalakhandan, N. N. & Speece, R. E.: QSAR model for predicting Henry’s constant, Environ. Sci. Technol., 22, 1349–1357, doi:10.1021/ES00176A016 (1988a).
Tsonopoulos, C. & Wilson, G. M.: High-temperature mutual solubilities of hydrocarbons and water. Part I: Benzene, cyclohexane and n-hexane, AIChE J., 29, 990–999, doi:10.1002/AIC.690290618 (1983).
Tucker, E. E., Lane, E. H., & Christian, S. D.: Vapor pressure studies of hydrophobic interactions. formation of benzene-benzene and cyclohexane-cyclohexanol dimers in dilute aqueous solution, J. Solution Chem., 10, 1–20, doi:10.1007/BF00652776 (1981).
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

19)	Value at T = 310 K.
92)	Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
100)	Calculated from the solvation enthalpy, using the van 't Hoff equation.
102)	Extrapolated from data measured between 40 ^°C and 80 ^°C.
103)	The value is most probably taken from the report by Howe et al. (1987).
114)	The data listed in Tabs. 2 and 3 of Dewulf et al. (1999) are inconsistent, with 5 % difference.
115)	Value at T = 301 K.
116)	Value given here as quoted by Staudinger and Roberts (1996).

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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