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Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

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Henry's Law Constants

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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 Please do not cite the old paper anymore.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 → 1,1,1,2-tetrafluoroethane

FORMULA:C2H2F4
TRIVIAL NAME: R134a
CAS RN:811-97-2
STRUCTURE
(FROM NIST):
InChIKey:LVGUZGTVOIAKKC-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
1.6×10−4 2700 Burkholder et al. (2019) L 71)
1.6×10−4 2700 Burkholder et al. (2015) L 71)
1.5×10−4 3100 Ooki and Yokouchi (2011) M 71)
1.6×10−4 2900 Zheng et al. (1997) M 615)
1.6×10−4 3000 Maaßen (1995) M 616)
1.6×10−4 2900 Reichl (1995) M 617)
1.9×10−4 1400 Chang and Criddle (1995) M 618)
1.4×10−4 2600 McLinden (1989) V
2.5×10−4 Hayer et al. (2022) Q 20)
1.5×10−4 3100 Li et al. (2019) Q 1)
6.5×10−6 HSDB (2015) Q 100)
2.5×10−4 Raventos-Duran et al. (2010) Q 244) 272)
1.2×10−4 Raventos-Duran et al. (2010) Q 245)
6.2×10−6 Raventos-Duran et al. (2010) Q 246)
9.7×10−5 Hilal et al. (2008) Q
5.5×10−5 Modarresi et al. (2007) Q 68)

Data

The first column contains Henry's law solubility constant Hscp at the reference temperature of 298.15 K.
The second column contains the temperature dependence d ln Hs cp / d (1/T), also at the reference temperature.

References

  • Burkholder, J. B., Sander, S. P., Abbatt, J., Barker, J. R., Huie, R. E., Kolb, C. E., Kurylo, M. J., Orkin, V. L., Wilmouth, D. M., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 18, JPL Publication 15-10, Jet Propulsion Laboratory, Pasadena, URL https://jpldataeval.jpl.nasa.gov (2015).
  • Burkholder, J. B., Sander, S. P., Abbatt, J., Barker, J. R., Cappa, C., Crounse, J. D., Dibble, T. S., Huie, R. E., Kolb, C. E., Kurylo, M. J., Orkin, V. L., Percival, C. J., Wilmouth, D. M., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 19, JPL Publication 19-5, Jet Propulsion Laboratory, Pasadena, URL https://jpldataeval.jpl.nasa.gov (2019).
  • Chang, W.-K. & Criddle, C. S.: Biotransformation of HCFC-22, HCFC-142b, HCFC-123, and HFC-134a by methanotrophic mixed culture MM1, Biodegrad., 6, 1–9, doi:10.1007/BF00702293 (1995).
  • 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).
  • 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).
  • 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).
  • 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).
  • Maaßen, S.: Experimentelle Bestimmung und Korrelierung von Verteilungskoeffizienten in verdünnten Lösungen, Ph.D. thesis, Technische Universität Berlin, Germany, ISBN 3826511042 (1995).
  • 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).
  • Modarresi, H., Modarress, H., & Dearden, J. C.: QSPR model of Henry’s law constant for a diverse set of organic chemicals based on genetic algorithm-radial basis function network approach, Chemosphere, 66, 2067–2076, doi:10.1016/J.CHEMOSPHERE.2006.09.049 (2007).
  • Ooki, A. & Yokouchi, Y.: Determination of Henry’s law constant of halocarbons in seawater and analysis of sea-to-air flux of iodoethane (C2H5I) in the Indian and Southern Oceans based on partial pressure measurements, Geochem. J., 45, e1–e7, doi:10.2343/GEOCHEMJ.1.0122 (2011).
  • Raventos-Duran, T., Camredon, M., Valorso, R., Mouchel-Vallon, C., & Aumont, B.: Structure-activity relationships to estimate the effective Henry’s law constants of organics of atmospheric interest, Atmos. Chem. Phys., 10, 7643–7654, doi:10.5194/ACP-10-7643-2010 (2010).
  • Reichl, A.: Messung und Korrelierung von Gaslöslichkeiten halogenierter Kohlenwasserstoffe, Ph.D. thesis, Technische Universität Berlin, Germany (1995).
  • Zheng, D.-Q., Guo, T.-M., & Knapp, H.: Experimental and modeling studies on the solubility of CO2, CHClF2, CHF3, C2H2F4 and C2H4F2 in water and aqueous NaCl solutions under low pressures, Fluid Phase Equilib., 129, 197–209, doi:10.1016/S0378-3812(96)03177-9 (1997).

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).
68) Modarresi et al. (2007) use different descriptors for their calculations. They conclude that a genetic algorithm/radial basis function network (GA/RBFN) is the best QSPR model. Only these results are shown here.
71) Solubility in sea water.
100) Calculated based on the method by Meylan and Howard (1991).
244) Calculated using the GROMHE model.
245) Calculated using the SPARC approach.
246) Calculated using the HENRYWIN method.
272) Value from the validation dataset.
615) The data from Zheng et al. (1997) were fitted to the three-parameter equation: Hscp= exp( −244.13803 +12963.44791/T +33.68869 ln(T)) mol m−3 Pa−1, with T in K.
616) The data from Maaßen (1995) were fitted to the three-parameter equation: Hscp= exp( −225.56576 +12186.49271/T +30.88527 ln(T)) mol m−3 Pa−1, with T in K.
617) The data from Reichl (1995) were fitted to the three-parameter equation: Hscp= exp( −208.89051 +11387.65726/T +28.42219 ln(T)) mol m−3 Pa−1, with T in K.
618) The data from Chang and Criddle (1995) were fitted to the three-parameter equation: Hscp= exp( −1003.84803 +45506.40253/T +147.89569 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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