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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 ConstantsHydrocarbons (C, H)Aliphatic alkynes → propyne

FORMULA:CH3CCH
CAS RN:74-99-7
STRUCTURE
(FROM NIST):
InChIKey:MWWATHDPGQKSAR-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
9.0×10−4 Mackay and Shiu (1981) L
7.7×10−4 2500 Simpson and Lovell (1962) M
6.7×10−4 2100 Inga and McKetta (1961) M
9.0×10−4 HSDB (2015) V
9.0×10−4 Hine and Mookerjee (1975) V
6.6×10−4 Irmann (1965) V
6.0×10−4 Hilal et al. (2008) Q
2100 Kühne et al. (2005) Q
4.4×10−4 Nirmalakhandan and Speece (1988a) Q
8.4×10−4 Irmann (1965) Q
2400 Kühne et al. (2005) ?
9.2×10−4 Yaws and Yang (1992) ? 92)
9.0×10−4 Abraham et al. (1990) ?
Wilhelm et al. (1977) W 30)

References

  • 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).
  • 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).
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm (2015).
  • Inga, R. F. & McKetta, J. J.: Solubility of propyne in water, J. Chem. Eng. Data, 6, 337–338, doi:10.1021/JE00103A008 (1961).
  • 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.: 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).
  • Nirmalakhandan, N. N. & Speece, R. E.: QSAR model for predicting Henry’s constant, Environ. Sci. Technol., 22, 1349–1357, doi:10.1021/ES00176A016 (1988a).
  • Simpson, L. B. & Lovell, F. P.: Solubility of methyl, ethyl, and vinyl acetylene in several solvents, J. Chem. Eng. Data, 7, 498–552, doi:10.1021/JE60015A017 (1962).
  • 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. & 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

30) The fitting parameters A, B, C, and D in Table I of Wilhelm et al. (1977) do not reproduce the data in their Table III.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.

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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