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Henry's Law Constants

Rolf Sander

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Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany

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Henry's Law Constants

Notes

References

Errata

Contact, Impressum, Acknowledgements

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 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

Hcp d ln Hcp / 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., and 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. and 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., and 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. and 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. and 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., and 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. and 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., and 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. and Frederikse, H. P. R., eds.: CRC Handbook of Chemistry and Physics, 76th Edition, CRC Press, Inc., Boca Raton, FL, 1995.
  • Mackay, D. and 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., and 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., and 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., and 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. and Speece, R. E.: QSAR model for predicting Henry's constant, Environ. Sci. Technol., 22, 1349-1357, doi:10.1021/ES00176A016, 1988a.
  • Pearson, C. R. and 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., and 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., and 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, 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., and Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, http://jpldataeval.jpl.nasa.gov, 2011.
  • Staudinger, J. and 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. and 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., and 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. and 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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