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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 ConstantsOrganic species with chlorine (Cl)Chlorocarbons (C, H, Cl) → chloromethane

FORMULA:CH3Cl
TRIVIAL NAME: methyl chloride
CAS RN:74-87-3
STRUCTURE
(FROM NIST):
InChIKey:NEHMKBQYUWJMIP-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.3×10−3 3300 Sander et al. (2011) L 246)
1.1×10−3 3300 Warneck (2007) L
1.3×10−3 3300 Sander et al. (2006) L 247)
1.1×10−3 3300 Staudinger and Roberts (2001) L
1.1×10−3 Mackay and Shiu (1981) L
1.0×10−3 2800 Wilhelm et al. (1977) L
7.9×10−4 2400 Hiatt (2013) M
9.1×10−4 2000 Chen et al. (2012) M
8.8×10−4 3200 Moore (2000) M 127)
9.3×10−4 3300 Moore et al. (1995) M 127)
8.8×10−4 2800 Reichl (1995) M
1.1×10−3 3000 Elliott and Rowland (1993) M
1.2×10−3 4200 Gossett (1987) M
1.4×10−3 Pearson and McConnell (1975) M 9) 248)
1.1×10−3 2600 Swain and Thornton (1962) M
9.9×10−4 2500 Boggs and Buck (1958) M
1.0×10−3 2900 Glew and Moelwyn-Hughes (1953) M
1.0×10−3 Mackay et al. (2006b) V
4.2×10−4 Lide and Frederikse (1995) V
1.0×10−3 Mackay et al. (1993) V
1.1×10−3 Dilling (1977) V 249)
1.2×10−3 Dilling (1977) V 9)
9.9×10−4 Hine and Mookerjee (1975) V
2.9×10−4 -630 Goldstein (1982) X 116)
2.5×10−5 Ryan et al. (1988) C
1.0×10−3 Hilal et al. (2008) Q
2600 Kühne et al. (2005) Q
3.9×10−4 Nirmalakhandan and Speece (1988a) Q
8.6×10−4 Irmann (1965) Q
1.1×10−3 Mackay et al. (2006b) ?
2700 Kühne et al. (2005) ?
1.2×10−3 Yaws (1999) ?
1.2×10−3 Yaws and Yang (1992) ? 92)
1.0×10−3 Abraham et al. (1990) ?

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).
  • Boggs, J. E. & Buck, Jr., A. E.: The solubility of some chloromethanes in water, J. Phys. Chem., 62, 1459–1461, doi:10.1021/J150569A031 (1958).
  • Chen, F., Freedman, D. L., Falta, R. W., & Murdoch, L. C.: Henry’s law constants of chlorinated solvents at elevated temperatures, Chemosphere, 86, 156–165, doi:10.1016/J.CHEMOSPHERE.2011.10.004 (2012).
  • Dilling, W. L.: Interphase transfer processes. II. Evaporation rates of chloro methanes, ethanes, ethylenes, propanes, and propylenes from dilute aqueous solutions. Comparisons with theoretical predictions, Environ. Sci. Technol., 11, 405–409, doi:10.1021/ES60127A009 (1977).
  • Elliott, S. & Rowland, F. S.: Nucleophilic substitution rates and solubilities for methyl halides in seawater, Geophys. Res. Lett., 20, 1043–1046, doi:10.1029/93GL01081 (1993).
  • Glew, D. N. & Moelwyn-Hughes, E. A.: Chemical statics of the methyl halides in water, Discuss. Faraday Soc., 15, 150–161, doi:10.1039/DF9531500150 (1953).
  • 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).
  • Gossett, J. M.: Measurement of Henry’s law constants for C1 and C2 chlorinated hydrocarbons, Environ. Sci. Technol., 21, 202–208, doi:10.1021/ES00156A012 (1987).
  • Hiatt, M. H.: Determination of Henry’s law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902–908, doi:10.1021/JE3010535 (2013).
  • 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).
  • Lide, D. R. & Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL (1995).
  • 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).
  • 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).
  • Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. II of Halogenated Hydrocarbons, CRC/Taylor & Francis Group (2006b).
  • Moore, R. M.: The solubility of a suite of low molecular weight organochlorine compounds in seawater and implications for estimating the marine source of methyl chloride to the atmosphere, Chemosphere; Global Change Sci., 2, 95–99, doi:10.1016/S1465-9972(99)00045-8 (2000).
  • Moore, R. M., Geen, C. E., & Tait, V. K.: Determination of Henry’s law constants for a suite of naturally occuring halogenated methanes in seawater, Chemosphere, 30, 1183–1191, doi:10.1016/0045-6535(95)00009-W (1995).
  • Nirmalakhandan, N. N. & Speece, R. E.: QSAR model for predicting Henry’s constant, Environ. Sci. Technol., 22, 1349–1357, doi:10.1021/ES00176A016 (1988a).
  • Pearson, C. R. & McConnell, G.: Chlorinated C1 and C2 hydrocarbons in the marine environment, Proc. R. Soc. Lond. B, 189, 305–332, doi:10.1098/RSPB.1975.0059 (1975).
  • Reichl, A.: Messung und Korrelierung von Gaslöslichkeiten halogenierter Kohlenwasserstoffe, Ph.D. thesis, Technische Universität Berlin, Germany (1995).
  • Ryan, J. A., Bell, R. M., Davidson, J. M., & O’Connor, G. A.: Plant uptake of non-ionic organic chemicals from soils, Chemosphere, 17, 2299–2323, doi:10.1016/0045-6535(88)90142-7 (1988).
  • 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).
  • 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).
  • Swain, C. G. & Thornton, E. R.: Initial-state and transition-state isotope effects of methyl halides in light and heavy water, J. Am. Chem. Soc., 84, 822–826, doi:10.1021/JA00864A029 (1962).
  • Warneck, P.: A review of Henry’s law coefficients for chlorine-containing C1 and C2 hydrocarbons, Chemosphere, 69, 347–361, doi:10.1016/J.CHEMOSPHERE.2007.04.088 (2007).
  • 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

9) Value at T = 293 K.
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).
127) Solubility in sea water.
246) The H298 and A,B data listed in Table 5.4 of Sander et al. (2011) are inconsistent, with 9 % difference.
247) The H298 and A,B data listed in Table 5.4 of Sander et al. (2006) are inconsistent, with 9 % difference.
248) The same data were also published in McConnell et al. (1975).
249) Values at different temperatures are from different sources. Thus a temperature dependence was not calculated.

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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