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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) → trichloroethene

FORMULA:C2HCl3
TRIVIAL NAME: trichloroethylene
CAS RN:79-01-6
STRUCTURE
(FROM NIST):
InChIKey:XSTXAVWGXDQKEL-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.1×10−3 4300 Warneck 2007 L
1.0×10−3 4300 Fogg and Sangster 2003 L
1.0×10−3 4600 Staudinger and Roberts 2001 L
9.9×10−4 4600 Staudinger and Roberts 1996 L
6.6×10−4 Steward et al. 1973 L 19)
1.2×10−3 4700 Hiatt 2013 M
1.3×10−3 Zhang et al. 2013 M
1.0×10−3 3900 Chen et al. 2012 M
9.4×10−4 Helburn et al. 2008 M
1.0×10−3 3900 Shimotori and Arnold 2003 M
1.1×10−3 4200 Görgényi et al. 2002 M
1.2×10−3 3600 Bierwagen and Keller 2001 M
7.6×10−4 4900 Moore 2000 M 127)
1.0×10−3 David et al. 2000 M 126)
1.1×10−3 3900 Vane and Giroux 2000 M
9.5×10−4 4900 Dewulf et al. 1999 M
9.5×10−4 Ryu and Park 1999 M
9.3×10−4 3700 Heron et al. 1998 M
1.1×10−3 Chiang et al. 1998 M 9)
1.4×10−3 Peng and Wan 1998 M
8.7×10−4 4000 Peng and Wan 1998 M 127)
1.1×10−3 3800 Peng and Wan 1997 M
1.3×10−3 Hovorka and Dohnal 1997 M 9)
1.1×10−3 2200 Kondoh and Nakajima 1997 M
8.8×10−4 3600 Park et al. 1997 M
8.5×10−4 Turner et al. 1996 M
8.3×10−4 Ramachandran et al. 1996 M
1.2×10−3 3900 Dewulf et al. 1995 M
1.3×10−3 Nielsen et al. 1994 M
9.7×10−4 4300 Khalfaoui and Newsham 1994b M
9.5×10−4 3500 Robbins et al. 1993 M
1.1×10−3 Hoff et al. 1993 M
1.0×10−3 Li et al. 1993 M
1.1×10−3 4200 Wright et al. 1992 M
1.1×10−3 4200 Tse et al. 1992 M
9.8×10−4 4100 Cooling et al. 1992 M
1.3×10−3 5200 Tancrède and Yanagisawa 1990 M
1.0×10−3 5200 Bissonette et al. 1990 M
9.7×10−4 2000 Lamarche and Droste 1989 M 135)
5.5×10−4 Guitart et al. 1989 M 19)
9.5×10−4 3700 Ashworth et al. 1988 M 103)
1.0×10−3 4800 Gossett 1987 M
9.6×10−4 4700 Munz and Roberts 1987 M
9.8×10−4 Hellmann 1987 M 31)
9.4×10−4 Yurteri et al. 1987 M 9)
9.0×10−4 5400 Schoene and Steinhanses 1985 M
1.1×10−3 4300 Gossett et al. 1985 M
1.0×10−3 Garbarini and Lion 1985 M
9.7×10−4 4900 Lincoff and Gossett 1984 M
1.0×10−3 4600 Leighton and Calo 1981 M
7.4×10−4 4800 Ervin et al. 1980 M
8.4×10−4 Warner et al. 1980 M
5.0×10−4 Sato and Nakajima 1979b M 19)
1.1×10−3 Pearson and McConnell 1975 M 9) 248)
8.5×10−4 Mackay et al. 2006b V
9.9×10−4 Park et al. 1997 V
8.4×10−4 Mackay et al. 1993 V
1.1×10−3 Hwang et al. 1992 V
8.1×10−4 Mackay and Shiu 1981 V
8.4×10−4 Warner et al. 1980 V
8.2×10−4 Dilling 1977 V 249)
1.0×10−3 Dilling 1977 V 9)
2.4×10−3 Dilling 1977 V 66)
8.4×10−4 Hine and Mookerjee 1975 V
8.4×10−4 Dilling et al. 1975 V
8.8×10−4 1600 Goldstein 1982 X 116)
1.1×10−3 Ryan et al. 1988 C
8.4×10−4 Shen 1982 C
3.0×10−4 Hilal et al. 2008 Q
3600 Kühne et al. 2005 Q
8.4×10−3 Nirmalakhandan and Speece 1988a Q
9.7×10−4 Mackay et al. 2006b ?
4200 Kühne et al. 2005 ?
9.7×10−4 Mackay et al. 1993 ?
8.4×10−4 Yaws and Yang 1992 ? 92)
8.4×10−4 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.
  • Bierwagen, B. G. and Keller, A. A.: Measurement of Henry's law constant for methyl tert-butyl ether using solid-phase microextraction, Environ. Toxicol. Chem., 20, 1625-1629, doi:10.1002/ETC.5620200802, 2001.
  • Bissonette, E. M., Westrick, J. J., and Morand, J. M.: Determination of Henry's coefficient for volatile organic compounds in dilute aqueous systems, in: Proceedings of the Annual Conference of the American Water Works Association, Cincinnati, OH, June 17-21, pp. 1913-1922, 1990.
  • 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.
  • Chiang, P.-C., Hung, C.-H., Mar, J. C., and Chang, E. E.: Henry's constants and mass transfer coefficients of halogenated organic pollutants in an air stripping packed column, Wat. Sci. Tech., 38, 287-294, 1998.
  • Cooling, M. R., Khalfaoui, B., and Newsham, D. M. T.: Phase equilibria in very dilute mixtures of water and unsaturated chlorinated hydrocarbons and of water and benzene, Fluid Phase Equilib., 81, 217-229, doi:10.1016/0378-3812(92)85153-Y, 1992.
  • David, M. D., Fendinger, N. J., and Hand, V. C.: Determination of Henry's law constants for organosilicones in actual and simulated wastewater, Environ. Sci. Technol., 34, 4554-4559, doi:10.1021/ES991204M, 2000.
  • 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.
  • 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.
  • 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.
  • 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.
  • Garbarini, D. R. and Lion, L. W.: Evaluation of sorptive partitioning of nonionic pollutants in closed systems by headspace analysis, Environ. Sci. Technol., 19, 1122-1128, doi:10.1021/ES00141A018, 1985.
  • 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.
  • Helburn, R., Albritton, J., Howe, G., Michael, L., and Franke, D.: Henry's law constants for fragrance and organic solvent compounds in aqueous industrial surfactants, J. Chem. Eng. Data, 53, 1071-1079, doi:10.1021/JE700418A, 2008.
  • Hellmann, H.: Model tests on volatilization of organic trace substances in surfaces waters, Fresenius J. Anal. Chem., 328, 475-479, doi:10.1007/BF00475967, 1987.
  • Heron, G., Christensen, T. H., and Enfield, C. G.: Henry's law constant for trichloroethylene between 10 and 95 ° C, Environ. Sci. Technol., 32, 1433-1437, doi:10.1021/ES9707015, 1998.
  • 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.
  • Hwang, Y.-L., Olson, J. D., and Keller, II, G. E.: Steam stripping for removal of organic pollutants from water. 2. Vapor-liquid equilibrium data, Ind. Eng. Chem. Res., 31, 1759-1768, doi:10.1021/IE00007A022, 1992.
  • 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.
  • Khalfaoui, B. and Newsham, D. M. T.: Determination of infinite dilution activity coefficients and second virial coefficients using gas-liquid chromatography I. The dilute mixtures of water and unsaturated chlorinated hydrocarbons and of water and benzene, J. Chromatogr. A, 673, 85-92, doi:10.1016/0021-9673(94)87060-8, 1994b.
  • 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.
  • 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.
  • 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.
  • Munz, C. and Roberts, P. V.: Air-water phase equilibria of volatile organic solutes, J. Am. Water Works Assoc., 79, 62-69, doi:10.1002/J.1551-8833.1987.TB02844.X, 1987.
  • Nielsen, F., Olsen, E., and Fredenslund, A.: Henry's law constants and infinite dilution activity coefficients for volatile organic compounds in water by a validated batch air stripping method, Environ. Sci. Technol., 28, 2133-2138, doi:10.1021/ES00061A022, 1994.
  • 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.
  • Park, S.-J., Han, S.-D., and Ryu, S.-A.: Measurement of air/water partition coefficient (Henry's law constant) by using EPICS method and their relationship with vapor pressure and water solubility, J. Korean Inst. Chem. Eng., 35, 915-920, 1997.
  • 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.
  • Peng, J. and Wan, A.: Measurement of Henry's constants of high-volatility organic compounds using a headspace autosampler, Environ. Sci. Technol., 31, 2998-3003, doi:10.1021/ES970240N, 1997.
  • Peng, J. and Wan, A.: Effect of ionic strength on Henry's constants of volatile organic compounds, Chemosphere, 36, 2731-2740, doi:10.1016/S0045-6535(97)10232-6, 1998.
  • Ramachandran, B. R., Allen, J. M., and Halpern, A. M.: Air-water partitioning of environmentally important organic compounds, J. Chem. Educ., 73, 1058-1061, doi:10.1021/ED073P1058, 1996.
  • Robbins, G. A., Wang, S., and Stuart, J. D.: Using the headspace method to determine Henry's law constants, Anal. Chem., 65, 3113-3118, doi:10.1021/AC00069A026, 1993.
  • 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.
  • Ryu, S.-A. and Park, S.-J.: A rapid determination method of the air/water partition coefficient and its application, Fluid Phase Equilib., 161, 295-304, doi:10.1016/S0378-3812(99)00193-4, 1999.
  • 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.
  • Schoene, K. and Steinhanses, J.: Determination of Henry's law constant by automated head space-gas chromatography, Fresenius J. Anal. Chem., 321, 538-543, doi:10.1007/BF00464360, 1985.
  • 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.
  • Shimotori, T. and Arnold, W. A.: Measurement and estimation of Henry's law constants of chlorinated ethylenes in aqueous surfactant solutions, J. Chem. Eng. Data, 48, 253-261, doi:10.1021/JE025553Z, 2003.
  • 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.
  • Steward, A., Allott, P. R., Cowles, A. L., and Mapleson, W. W.: Solubility coefficients for inhaled anaesthetics for water, oil and biological media, Br. J. Anaesth., 45, 282-293, doi:10.1093/BJA/45.3.282, 1973.
  • Tancrède, M. V. and Yanagisawa, Y.: An analytical method to determine Henry's law constant for selected volatile organic compounds at concentrations and temperatures corresponding to tap water use, J. Air Waste Manage. Assoc., 40, 1658-1663, doi:10.1080/10473289.1990.10466813, 1990.
  • 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.
  • Turner, L. H., Chiew, Y. C., Ahlert, R. C., and Kosson, D. S.: Measuring vapor-liquid equilibrium for aqueous-organic systems: Review and a new technique, AIChE J., 42, 1772-1788, doi:10.1002/AIC.690420629, 1996.
  • Vane, L. M. and Giroux, E. L.: Henry's law constants and micellar partitioning of volatile organic compounds in surfactant solutions, J. Chem. Eng. Data, 45, 38-47, doi:10.1021/JE990195U, 2000.
  • 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.
  • Yurteri, C., Ryan, D. F., Callow, J. J., and Gurol, M. D.: The effect of chemical composition of water on Henry's law constant, J. Water Pollut. Control Fed., 59, 950-956, 1987.
  • Zhang, W., Huang, L., Yang, C., and Ying, W.: Experimental method for estimating Henry's law constant of volatile organic compound, Asian J. Chem., 25, 2647-2650, 2013.

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.
31) Value at T = 295 K.
66) Value at T = 275 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).
126) Value at T = 296 K.
127) Solubility in sea water.
135) The temperature dependence is recalculated using the data in Table 4 of Lamarche and Droste (1989) and not taken from their Table 5.
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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