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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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References

Errata

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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) → 1,1,1-trichloroethane

FORMULA:CH3CCl3
TRIVIAL NAME: methylchloroform; MCF
CAS RN:71-55-6
STRUCTURE
(FROM NIST):
InChIKey:UOCLXMDMGBRAIB-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
6.0×10−4 3700 Warneck 2007 L
6.2×10−4 3900 Fogg and Sangster 2003 L
5.9×10−4 4000 Staudinger and Roberts 2001 L
5.8×10−4 3900 Staudinger and Roberts 1996 L
3.6×10−4 Mackay and Shiu 1981 L
6.9×10−4 4000 Hiatt 2013 M
5.4×10−4 4100 Chen et al. 2012 M
6.2×10−4 3500 Vane and Giroux 2000 M
7.1×10−4 Chiang et al. 1998 M 9)
7.9×10−4 Hovorka and Dohnal 1997 M 9)
6.7×10−4 1900 Kondoh and Nakajima 1997 M
4.8×10−4 Turner et al. 1996 M
6.7×10−4 4100 Dewulf et al. 1995 M
5.6×10−4 3200 Robbins et al. 1993 M
5.3×10−4 Hoff et al. 1993 M
5.9×10−4 3100 Hansen et al. 1993 M 105)
5.7×10−4 Li et al. 1993 M
6.0×10−4 3500 Wright et al. 1992 M
6.3×10−4 3700 Tse et al. 1992 M
7.9×10−4 1300 Kolb et al. 1992 M 102)
5.1×10−4 5200 Bissonette et al. 1990 M
3.2×10−4 Guitart et al. 1989 M 19)
5.7×10−4 3400 Ashworth et al. 1988 M 103)
5.9×10−4 4100 Gossett 1987 M
5.8×10−4 4100 Munz and Roberts 1987 M
6.3×10−4 Yurteri et al. 1987 M 9)
5.7×10−4 4200 Gossett et al. 1985 M
5.9×10−4 4300 Lincoff and Gossett 1984 M
7.6×10−4 3200 Hunter-Smith et al. 1983 M 251)
4.9×10−4 4400 Leighton and Calo 1981 M
2.7×10−4 7000 Ervin et al. 1980 M
2.0×10−3 Warner et al. 1980 M
3.6×10−4 Sato and Nakajima 1979b M 19)
2.9×10−4 Pearson and McConnell 1975 M 9) 248)
5.9×10−4 Mackay et al. 2006b V
6.8×10−4 Mackay et al. 1993 V
7.0×10−4 4700 McLinden 1989 V
2.4×10−3 Warner et al. 1980 V
3.4×10−4 Dilling 1977 V 249)
4.0×10−4 Dilling 1977 V 9)
1.1×10−3 Dilling 1977 V 66)
6.1×10−4 Hine and Mookerjee 1975 V
5.9×10−4 Dilling et al. 1975 V
5.8×10−4 4000 Barr and Newsham 1987 X 116)
2.2×10−3 1700 Goldstein 1982 X 116)
3.1×10−4 Ryan et al. 1988 C
2.0×10−3 Shen 1982 C
9.0×10−4 Hilal et al. 2008 Q
3700 Kühne et al. 2005 Q
2.3×10−3 Nirmalakhandan and Speece 1988a Q
1.6×10−3 Arbuckle 1983 Q
5.7×10−4 Mackay et al. 2006b ?
3700 Kühne et al. 2005 ?
5.7×10−4 Mackay et al. 1993 ?
5.6×10−4 Abraham et al. 1990 ?
1.6×10−3 Chiou et al. 1980 ? 27)

References

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  • Dilling, W. L., Tefertiller, N. B., and Kallos, G. J.: Evaporation rates and reactivities of methylene chloride, chloroform, 1,1,1-trichloroethane, trichloroethylene, tetrachloroethylene, and other chlorinated compounds in dilute aqueous solutions, Environ. Sci. Technol., 9, 833-838, doi:10.1021/ES60107A008, 1975.
  • Ervin, A. L., Mangone, M. A., and Singley, J. E.: Trace organics removal by air stripping, in: Proceedings of the Annual Conference of the American Water Works Association, pp. 507-530, 1980.
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  • 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.
  • Gossett, J. M., Cameron, C. E., Eckstrom, B. P., Goodman, C., and Lincoff, A. H.: Mass transfer coefficients and Henry's constants for packed-tower air stripping of volatile organics: Measurements and Correlations, Final Report ESL-TR-85-18, Engineering and Services Laboratory, Tyndall Air Force Base, FL, 1985.
  • Guitart, R., Puigdemont, F., and Arboix, M.: Rapid headspace gas chromatographic method for the determination of liquid/gas partition coefficients, J. Chromatogr., 491, 271-280, doi:10.1016/S0378-4347(00)82845-5, 1989.
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  • 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.
  • Hoff, J. T., Mackay, D., Gillham, R., and Shiu, W. Y.: Partitioning of organic chemicals at the air-water interface in environmental systems, Environ. Sci. Technol., 27, 2174-2180, doi:10.1021/ES00047A026, 1993.
  • Hovorka, S. and Dohnal, V.: Determination of air-water partitioning of volatile halogenated hydrocarbons by the inert gas stripping method, J. Chem. Eng. Data, 42, 924-933, doi:10.1021/JE970046G, 1997.
  • Hunter-Smith, R. J., Balls, P. W., and Liss, P. S.: Henry's law constants and the air-sea exchange of various low molecular weight halocarbon gases, Tellus, 35B, 170-176, doi:10.1111/J.1600-0889.1983.TB00021.X, 1983.
  • 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.
  • Kolb, B., Welter, C., and Bichler, C.: Determination of partition coefficients by automatic equilibrium headspace gas chromatography by vapor phase calibration, Chromatographia, 34, 235-240, doi:10.1007/BF02268351, 1992.
  • Kondoh, H. and Nakajima, T.: Optimization of headspace cryofocus gas chromatography/mass spectrometry for the analysis of 54 volatile organic compounds, and the measurement of their Henry's constants, J. Environ. Chem., 7, 81-89, doi:10.5985/JEC.7.81, 1997.
  • Leighton, D. T. and Calo, J. M.: Distribution coefficients of chlorinated hydrocarbons in dilute air-water systems for groundwater contamination applications, J. Chem. Eng. Data, 26, 382-385, doi:10.1021/JE00026A010, 1981.
  • Li, J., Dallas, A. J., Eikens, D. I., Carr, P. W., Bergmann, D. L., Hait, M. J., and Eckert, C. A.: Measurement of large infinite dilution activity coefficients of nonelectrolytes in water by inert gas stripping and gas chromatography, Anal. Chem., 65, 3212-3218, doi:10.1021/AC00070A008, 1993.
  • Lincoff, A. H. and Gossett, J. M.: The determination of Henry's law constant for volatile organics by equilibrium partitioning in closed systems, in: Gas transfer at water surfaces, edited by Brutsaert, W. and Jirka, G. H., pp. 17-25, D. Reidel Publishing Company, Dordrecht-Holland, doi:10.1007/978-94-017-1660-4_2, 1984.
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  • 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.
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  • 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.
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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.
19) Value at T = 310 K.
27) Value at T = 297 K.
66) Value at T = 275 K.
102) Extrapolated from data measured between 40 °C and 80 °C.
103) The value is most probably taken from the report by Howe et al. (1987).
105) The same data were also published in Hansen et al. (1995).
116) Value given here as quoted by Staudinger and Roberts (1996).
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.
251) Probably an interpolation of the data from Balls (1980).

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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