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 Please do not cite the old paper anymore.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 fluorine (F) → Organic fluorine → pentafluoroethane

FORMULA:	C₂HF₅
TRIVIAL NAME:	R125
CAS RN:	354-33-6
STRUCTURE (FROM NIST):
InChIKey:	GTLACDSXYULKMZ-UHFFFAOYSA-N

$H_{s}^{cp}$	$d ln H_{s}^{cp} / d (1/ T)$	References	Type	Notes
[mol/(m³Pa)]	[K]
3.1×10⁻⁴	3300	Miguel et al. (2000)	M
3.5×10⁻⁵	3000	Reichl (1995)	M	619)
8.0×10⁻⁵	4800	McLinden (1989)	V
1.3×10⁻⁴		Hayer et al. (2022)	Q	20)
3.5×10⁻⁵	3000	Li et al. (2019)	Q	1)
2.0×10⁻⁴		HSDB (2015)	Q	100)
3.2×10⁻⁶		Zhang et al. (2010)	Q	288) 289)
2.0×10⁻⁵		Zhang et al. (2010)	Q	288) 290)
5.7×10⁻⁵		Zhang et al. (2010)	Q	288) 291)
2.1×10⁻⁵		Zhang et al. (2010)	Q	288) 292)
	2600	Kühne et al. (2005)	Q
	2900	Kühne et al. (2005)	?

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

Hayer, N., Jirasek, F., & Hasse, H.: Prediction of Henry’s law constants by matrix completion, AIChE J., 68, e17 753, doi:10.1002/AIC.17753 (2022).
HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL https://www.nlm.nih.gov/toxnet/Accessing_HSDB_Content_from_PubChem.html (2015).
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).
Li, P., Mühle, J., Montzka, S. A., Oram, D. E., Miller, B. R., Weiss, R. F., Fraser, P. J., & Tanhua, T.: Atmospheric histories, growth rates and solubilities in seawater and other natural waters of the potential transient tracers HCFC-22, HCFC-141b, HCFC-142b, HFC-134a, HFC-125, HFC-23, PFC-14 and PFC-116, Ocean Sci., 15, 33–60, doi:10.5194/OS-15-33-2019 (2019).
McLinden, M. O.: Physical properties of alternatives to the fully halogenated chlorofluorocarbons, in: WMO Report 20, Scientific Assessment of Stratospheric Ozone: 1989, Volume II, pp. 11–38, World Meteorol. Organ., Geneva, ISBN 9280712551 (1989).
Miguel, A. A. F., Ferreira, A. G. M., & Fonseca, I. M. A.: Solubilities of some new refrigerants in water, Fluid Phase Equilib., 173, 97–107, doi:10.1016/S0378-3812(00)00390-3 (2000).
Reichl, A.: Messung und Korrelierung von Gaslöslichkeiten halogenierter Kohlenwasserstoffe, Ph.D. thesis, Technische Universität Berlin, Germany (1995).
Zhang, X., Brown, T. N., Wania, F., Heimstad, E. S., & Goss, K.-U.: Assessment of chemical screening outcomes based on different partitioning property estimation methods, Environ. Int., 36, 514–520, doi:10.1016/J.ENVINT.2010.03.010 (2010).

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

1)	A detailed temperature dependence with more than one parameter is available in the original publication. Here, only the temperature dependence at 298.15 K according to the van 't Hoff equation is presented.
20)	Calculated using machine learning matrix completion methods (MCMs).
100)	Calculated based on the method by Meylan and Howard (1991).
288)	Data taken from the supplement.
289)	Calculated using the EPI Suite (v4.0) method.
290)	Calculated using the SPARC (v4.2) method.
291)	Calculated using the COSMOtherm (v2.1) method.
292)	Calculated using the ABSOLV (ADMEBoxes v4.1) method.
619)	The data from Reichl (1995) were fitted to the three-parameter equation: H_s^cp= exp( −164.25882 +9381.26592/T +21.50848 ln(T)) mol m⁻³ Pa⁻¹, with T in 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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