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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) → 1,1,2-trichloroethane

FORMULA:CHCl2CH2Cl
CAS RN:79-00-5
STRUCTURE
(FROM NIST):
InChIKey:UBOXGVDOUJQMTN-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.1×10−2 4100 Warneck 2007 L
1.2×10−2 4200 Fogg and Sangster 2003 L
1.1×10−2 4900 Staudinger and Roberts 2001 L
1.1×10−2 4900 Staudinger and Roberts 1996 L
8.3×10−3 Mackay and Shiu 1981 L
1.4×10−2 5400 Hiatt 2013 M
1.2×10−2 Bobadilla et al. 2003 M
1.1×10−2 4700 Dewulf et al. 1999 M
1.5×10−2 Dohnal and Hovorka 1999 M 9)
1.5×10−2 Hovorka and Dohnal 1997 M 9)
1.1×10−2 5100 Kondoh and Nakajima 1997 M
1.2×10−2 5900 Hansen et al. 1993 M 105)
1.2×10−2 3900 Wright et al. 1992 M
1.1×10−2 4100 Tse et al. 1992 M
1.0×10−2 4800 Ashworth et al. 1988 M 103)
1.2×10−2 3700 Leighton and Calo 1981 M
6.6×10−3 Sato and Nakajima 1979b M 19)
1.1×10−2 Mackay et al. 2006b V
1.0×10−2 Mackay et al. 1993 V
1.1×10−2 Dilling 1977 V
1.1×10−2 Hine and Mookerjee 1975 V
1.1×10−2 4300 Barr and Newsham 1987 X 116)
1.2×10−2 2700 Goldstein 1982 X 116)
1.3×10−3 Ryan et al. 1988 C
1.5×10−2 Hilal et al. 2008 Q
3700 Kühne et al. 2005 Q
3.3×10−3 Nirmalakhandan and Speece 1988a Q
7.6×10−3 Arbuckle 1983 Q
1.1×10−2 Mackay et al. 2006b ?
4200 Kühne et al. 2005 ?
1.1×10−2 Mackay et al. 1993 ?
1.0×10−2 Yaws and Yang 1992 ? 92)
1.2×10−2 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.
  • Arbuckle, W. B.: Estimating activity coefficients for use in calculating environmental parameters, Environ. Sci. Technol., 17, 537-542, doi:10.1021/ES00115A008, 1983.
  • Ashworth, R. A., Howe, G. B., Mullins, M. E., and Rogers, T. N.: Air-water partitioning coefficients of organics in dilute aqueous solutions, J. Hazard. Mater., 18, 25-36, doi:10.1016/0304-3894(88)85057-X, 1988.
  • Barr, R. S. and Newsham, D. M. T.: Phase equilibria in very dilute mixtures of water and chlorinated hydrocarbons. Part I. Experimental results, Fluid Phase Equilib., 35, 189-205, doi:10.1016/0378-3812(87)80012-2, 1987.
  • Bobadilla, R., Huybrechts, T., Dewulf, J., and van Langenhove, H.: Determination of the Henry's constant of volatile and semi-volatile organic componuds of environmental concern by the bas (batch air stripping) technique: a new mathematical approach, J. Chilean Chem. Soc., 48, doi:10.4067/S0717-97072003000300001, 2003.
  • Dewulf, J., van Langenhove, H., and Everaert, P.: Determination of Henry's law coefficients by combination of the equilibrium partitioning in closed systems and solid-phase microextraction techniques, J. Chromatogr. A, 830, 353-363, doi:10.1016/S0021-9673(98)00877-2, 1999.
  • 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.
  • Dohnal, V. and Hovorka, S.: Exponential saturator: a novel gas-liquid partitioning technique for measurement of large limiting activity coefficients, Ind. Eng. Chem. Res., 38, 2036-2043, doi:10.1021/IE980743H, 1999.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • 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.
  • Hansen, K. C., Zhou, Z., Yaws, C. L., and Aminabhavi, T. M.: Determination of Henry's law constants of organics in dilute aqueous solutions, J. Chem. Eng. Data, 38, 546-550, doi:10.1021/JE00012A017, 1993.
  • 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.
  • 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.
  • 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.
  • 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.
  • 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.
  • 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.
  • 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.
  • Sato, A. and Nakajima, T.: A structure-activity relationship of some chlorinated hydrocarbons, Arch. Environ. Health, 34, 69-75, doi:10.1080/00039896.1979.10667371, 1979b.
  • Staudinger, J. and Roberts, P. V.: A critical review of Henry's law constants for environmental applications, Crit. Rev. Environ. Sci. Technol., 26, 205-297, doi:10.1080/10643389609388492, 1996.
  • 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.
  • Tse, G., Orbey, H., and Sandler, S. I.: Infinite dilution activity coefficients and Henry's law coefficients of some priority water pollutants determined by a relative gas chromatographic method, Environ. Sci. Technol., 26, 2017-2022, doi:10.1021/ES00034A021, 1992.
  • 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.
  • Wright, D. A., Sandler, S. I., and DeVoll, D.: Infinite dilution activity coefficients and solubilities of halogenated hydrocarbons in water at ambient temperatures, Environ. Sci. Technol., 26, 1828-1831, doi:10.1021/ES00033A018, 1992.
  • 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.
19) Value at T = 310 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
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).

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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