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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 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) → ethanoic acid

FORMULA:CH3COOH
TRIVIAL NAME: acetic acid
CAS RN:64-19-7
STRUCTURE
(FROM NIST):
InChIKey:QTBSBXVTEAMEQO-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
4.0×101 6200 Sander et al. (2011) L
4.0×101 6200 Sander et al. (2006) L
4.6×101 6300 Staudinger and Roberts (2001) L
1.4×101 von Hartungen et al. (2004) M
4.0×101 6300 Johnson et al. (1996) M
5.4×101 Khan et al. (1995) M
5.4×101 8300 Khan and Brimblecombe (1992) M
9.2×101 Servant et al. (1991) M 201)
Fredenhagen and Liebster (1932) M 123)
9.1 Hwang et al. (1992) V
6300 Abraham (1984) V
6200 Abraham (1984) R 202)
8.7×101 6400 Jacob et al. (1989) T
6400 Winiwarter et al. (1988) T 203)
8.7×101 Keene and Galloway (1986) T
9.7 4900 Goldstein (1982) X 116)
9.9×101 Gaffney and Senum (1984) X 153) 205)
5.1×101 Johnson et al. (1996) C
5.2×101 Keene et al. (1995) C
8.5×101 Keene et al. (1995) C
1.3×102 Hilal et al. (2008) Q
6100 Kühne et al. (2005) Q
3.9×101 Nirmalakhandan and Speece (1988a) Q
6200 Kühne et al. (2005) ?
8.2 Yaws and Yang (1992) ? 92)
3.3×101 Abraham et al. (1990) ?
3.3×101 Hine and Mookerjee (1975) ?

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

  • 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., & 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).
  • Fredenhagen, K. & Liebster, H.: Die Teildrucke und Verteilungszahlen der Essigsäure über ihren wässerigen Lösungen bei 25 ∘C, Z. Phys. Chem., 162A, 449–453, doi:10.1515/ZPCH-1932-16234 (1932).
  • Gaffney, J. S. & Senum, G. I.: Peroxides, peracids, aldehydes, and PANs and their links to natural and anthropogenic organic sources, in: Gas-Liquid Chemistry of Natural Waters, edited by Newman, L., pp. 5–1–5–7, NTIS TIC-4500, UC-11, BNL 51757 Brookhaven National Laboratory (1984).
  • 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).
  • 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).
  • Jacob, D. J., Gottlieb, E. W., & Prather, M. J.: Chemistry of a polluted cloudy boundary layer, J. Geophys. Res., 94D, 12 975–13 002, doi:10.1029/JD094ID10P12975 (1989).
  • Johnson, B. J., Betterton, E. A., & Craig, D.: Henry’s law coefficients of formic and acetic acids, J. Atmos. Chem., 24, 113–119, doi:10.1007/BF00162406 (1996).
  • Keene, W. C. & Galloway, J. N.: Considerations regarding sources for formic and acetic acids in the troposphere, J. Geophys. Res., 91D, 14 466–14 474, doi:10.1029/JD091ID13P14466 (1986).
  • Keene, W. C., Mosher, B. W., Jacob, D. J., Munger, J. W., Talbot, R. W., Artz, R. S., Maben, J. R., Daube, B. C., & Galloway, J. N.: Carboxylic acids in a high-elevation forested site in central Virginia, J. Geophys. Res., 100D, 9345–9357, doi:10.1029/94JD01247 (1995).
  • Khan, I. & Brimblecombe, P.: Henry’s law constants of low molecular weight (<130) organic acids, J. Aerosol Sci., 23, S897–S900, doi:10.1016/0021-8502(92)90556-B (1992).
  • Khan, I., Brimblecombe, P., & Clegg, S. L.: Solubilities of pyruvic acid and the lower (C1-C6) carboxylic acids. Experimental determination of equilibrium vapour pressures above pure aqueous and salt solutions, J. Atmos. Chem., 22, 285–302, doi:10.1007/BF00696639 (1995).
  • 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).
  • Nirmalakhandan, N. N. & Speece, R. E.: QSAR model for predicting Henry’s constant, Environ. Sci. Technol., 22, 1349–1357, doi:10.1021/ES00176A016 (1988a).
  • Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., & Orkin, V. L.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15, JPL Publication 06-2, Jet Propulsion Laboratory, Pasadena, CA, URL http://jpldataeval.jpl.nasa.gov (2006).
  • 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).
  • Servant, J., Kouadio, G., Cros, B., & Delmas, R.: Carboxylic monoacids in the air of Mayombe forest (Congo): Role of the forest as a source or sink, J. Atmos. Chem., 12, 367–380, doi:10.1007/BF00114774 (1991).
  • Staudinger, J. & Roberts, P. V.: A critical compilation of Henry’s law constant temperature dependence relations for organic compounds in dilute aqueous solutions, Chemosphere, 44, 561–576, doi:10.1016/S0045-6535(00)00505-1 (2001).
  • von Hartungen, E., Wisthaler, A., Mikoviny, T., Jaksch, D., Boscaini, E., Dunphy, P. J., & Märk, T. D.: Proton-transfer-reaction mass spectrometry (PTR-MS) of carboxylic acids. Determination of Henry’s law constants and axillary odour investigations, Int. J. Mass Spectrom., 239, 243–248, doi:10.1016/J.IJMS.2004.09.009 (2004).
  • Winiwarter, W., Puxbaum, H., Fuzzi, S., Facchini, M. C., Orsi, G., Beltz, N., Enderle, K.-H., & Jaeschke, W.: Organic acid gas and liquid-phase measurements in Po valley fall-winter conditions in the presence of fog, Tellus, 40B, 348–357, doi:10.1111/J.1600-0889.1988.TB00109.X (1988).
  • 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.
116) Value given here as quoted by Staudinger and Roberts (1996).
123) It was found that Hs changes with the concentration of the solution.
153) Value given here as quoted by Gaffney et al. (1987).
201) The value given here was measured at a liquid phase mixing ratio of 1 μmol/mol. Servant et al. (1991) found that the Henry's law constant changes at higher concentrations.
202) Abraham (1984) smoothed the values from a plot of enthalpy against carbon number.
203) The value of Hs⊖ was taken from Keene and Galloway (1986).
205) Value at pH = 4.

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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