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 → Organic species with chlorine (Cl) → Chlorofluorocarbons (C, H, O, N, F, Cl) → chlorotrifluoromethane

FORMULA:	CF₃Cl
TRIVIAL NAME:	R13
CAS RN:	75-72-9
STRUCTURE (FROM NIST):
InChIKey:	AFYPFACVUDMOHA-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
9.9×10⁻⁶	1700	Sander et al. (2011)	L	279)
9.3×10⁻⁶	1600	Wilhelm et al. (1977)	L
8.6×10⁻⁶	2200	Reichl (1995)	M
9.2×10⁻⁶	1900	Scharlin and Battino (1994)	M
7.8×10⁻⁶		Park et al. (1982)	M
1.5×10⁻⁴		Mackay et al. (1993)	V
5.7×10⁻⁶		Hine and Mookerjee (1975)	V
7.2×10⁻⁶		Hilal et al. (2008)	C
5.7×10⁻⁶		Irmann (1965)	C
2.6×10⁻⁵		Hilal et al. (2008)	Q
	2600	Kühne et al. (2005)	Q
1.4×10⁻⁵		Nirmalakhandan and Speece (1988a)	Q
5.1×10⁻⁶		Irmann (1965)	Q
	2000	Kühne et al. (2005)	?
8.8×10⁻⁶		Yaws (1999)	?
8.7×10⁻⁶		Yaws and Yang (1992)	?	92)

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

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).
Irmann, F.: Eine einfache Korrelation zwischen Wasserlöslichkeit und Struktur von Kohlenwasserstoffen und Halogenkohlenwasserstoffen, Chem.-Ing.-Tech., 37, 789–798, doi:10.1002/CITE.330370802 (1965).
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., & 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).
Nirmalakhandan, N. N. & Speece, R. E.: QSAR model for predicting Henry’s constant, Environ. Sci. Technol., 22, 1349–1357, doi:10.1021/ES00176A016 (1988a).
Park, T., Rettich, T. R., Battino, R., Peterson, D., & Wilhelm, E.: Solubility of gases in liquids. 14. Bunsen coefficients for several fluorine-containing gases (Freons) dissolved in water at 298.15 K, J. Chem. Eng. Data, 27, 324–326, doi:10.1021/JE00029A027 (1982).
Reichl, A.: Messung und Korrelierung von Gaslöslichkeiten halogenierter Kohlenwasserstoffe, Ph.D. thesis, Technische Universität Berlin, Germany (1995).
Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, URL http://jpldataeval.jpl.nasa.gov (2011).
Scharlin, P. & Battino, R.: Solubility of CCl₂F₂, CClF₃, CF₄ and c-C₄F₈ in H₂O and D₂O at 288 to 318 K and 101.325 kPa. Thermodynamics of transfer of gases from H₂O to D₂O, Fluid Phase Equilib., 95, 137–147, doi:10.1016/0378-3812(94)80066-9 (1994).
Wilhelm, E., Battino, R., & Wilcock, R. J.: Low-pressure solubility of gases in liquid water, Chem. Rev., 77, 219–262, doi:10.1021/CR60306A003 (1977).
Yaws, C. L., ed.: Chemical Properties Handbook, McGraw-Hill, Inc. (1999).
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.
279)	The H298 and A,B data listed in Table 5.4 of Sander et al. (2011) are inconsistent, with 5 % difference.

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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