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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

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 ConstantsOrganic species with chlorine (Cl)Chlorocarbons (C, H, Cl) → 1,1-dichloroethane

FORMULA:CHCl2CH3
CAS RN:75-34-3
STRUCTURE
(FROM NIST):
InChIKey:SCYULBFZEHDVBN-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.7×10−3 4100 Warneck 2007 L
1.8×10−3 4100 Fogg and Sangster 2003 L
1.6×10−3 3700 Staudinger and Roberts 2001 L
1.5×10−3 3600 Staudinger and Roberts 1996 L
1.7×10−3 Mackay and Shiu 1981 L
2.0×10−3 3900 Hiatt 2013 M
1.9×10−3 3300 Chen et al. 2012 M
2.0×10−3 Bobadilla et al. 2003 M
1.8×10−3 3800 Görgényi et al. 2002 M
2.2×10−3 Hovorka and Dohnal 1997 M 9)
1.8×10−3 2600 Kondoh and Nakajima 1997 M
2.0×10−3 4300 Dewulf et al. 1995 M
1.6×10−3 3600 Wright et al. 1992 M
1.7×10−3 3700 Tse et al. 1992 M
1.7×10−3 2100 Lamarche and Droste 1989 M 135)
1.5×10−3 3100 Ashworth et al. 1988 M 103)
1.8×10−3 4100 Gossett 1987 M
1.3×10−3 4900 Ervin et al. 1980 M
1.8×10−3 Warner et al. 1980 M
1.0×10−3 Sato and Nakajima 1979b M 19)
1.8×10−3 4400 Rex 1906 M
1.7×10−3 Mackay et al. 2006b V
1.6×10−3 Mackay et al. 1993 V
1.8×10−3 Warner et al. 1980 V
1.7×10−3 Dilling 1977 V
1.7×10−3 Hine and Mookerjee 1975 V
1.7×10−3 3800 Barr and Newsham 1987 X 116)
1.8×10−3 1700 Goldstein 1982 X 116)
2.4×10−3 Ryan et al. 1988 C
1.8×10−3 Shen 1982 C
3.2×10−3 Hilal et al. 2008 Q
3300 Kühne et al. 2005 Q
1.4×10−3 Nirmalakhandan and Speece 1988a Q
1.8×10−3 Mackay et al. 2006b ?
3900 Kühne et al. 2005 ?
1.6×10−3 Mackay et al. 1993 ?
1.7×10−3 Yaws and Yang 1992 ? 92)
1.7×10−3 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.
  • 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.
  • 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.
  • Dewulf, J., Drijvers, D., and van Langenhove, H.: Measurement of Henry's law constant as function of temperature and salinity for the low temperature range, Atmos. Environ., 29, 323-331, doi:10.1016/1352-2310(94)00256-K, 1995.
  • 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.
  • 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.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • Görgényi, M., Dewulf, J., and Van Langenhove, H.: Temperature dependence of Henry's law constant in an extended temperature range, Chemosphere, 48, 757-762, doi:10.1016/S0045-6535(02)00131-5, 2002.
  • 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.
  • 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.
  • Lamarche, P. and Droste, R. L.: Air stripping mass transfer correlations for volatile organics, J. Am. Water Works Assoc., 81, 78-89, doi:10.1002/J.1551-8833.1989.TB03326.X, 1989.
  • 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.
  • Rex, A.: Über die Löslichkeit der Halogenderivate der Kohlenwasserstoffe in Wasser, Z. Phys. Chem., 55, 355-370, doi:10.1515/ZPCH-1906-5519, 1906.
  • 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.
  • Shen, T. T.: Estimation of organic compound emissions from waste lagoons, J. Air Pollut. Control Assoc., 32, 79-82, doi:10.1080/00022470.1982.10465374, 1982.
  • 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.
  • Warner, H. P., Cohen, J. M., and Ireland, J. C.: Determination of Henry's law constants of selected priority pollutants, Tech. rep., U.S. EPA, Municipal Environmental Research Laboratory, Wastewater Research Division, Cincinnati, Ohio, 45268, USA, 1980.
  • 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).
116) Value given here as quoted by Staudinger and Roberts (1996).
135) The temperature dependence is recalculated using the data in Table 4 of Lamarche and Droste (1989) and not taken from their Table 5.

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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