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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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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

A new version is currently under peer review:

R. Sander: Compilation of Henry's law constants (version 5.0.0-rc.0) for water as solvent, doi:10.5194/egusphere-2023-1584

The database on this web page will be updated to version 5.0.0 when the peer review of the manuscript is completed.

Henry's Law Constants → Organic species with chlorine (Cl) → Chlorocarbons (C, H, Cl) → 1,2-dichloroethane

FORMULA:CH2ClCH2Cl
CAS RN:107-06-2
STRUCTURE
(FROM NIST):
InChIKey:WSLDOOZREJYCGB-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) References Type Notes
[mol/(m3Pa)] [K]
8.9×10−3 4300 Warneck (2007) L
9.1×10−3 4300 Fogg and Sangster (2003) L
7.8×10−3 4200 Staudinger and Roberts (2001) L
7.1×10−3 4200 Staudinger and Roberts (1996) L
9.1×10−3 Mackay and Shiu (1981) L
8.2×10−3 4400 Hiatt (2013) M
9.1×10−3 6100 Chen et al. (2012) M
5.4×10−3 Ayuttaya et al. (2001) M 131)
5.7×10−4 Ayuttaya et al. (2001) M 132)
4.2×10−3 Ayuttaya et al. (2001) M 133)
8.1×10−3 Ayuttaya et al. (2001) M 134)
1.1×10−2 Hovorka and Dohnal (1997) M 9)
6.2×10−3 3700 Kondoh and Nakajima (1997) M
9.3×10−3 4600 Dewulf et al. (1995) M
8.3×10−3 Hoff et al. (1993) M
8.2×10−3 Li et al. (1993) M
8.5×10−3 3900 Wright et al. (1992) M
8.0×10−3 3600 Tse et al. (1992) M
6.4×10−3 4500 Bissonette et al. (1990) M
5.8×10−3 3000 Lamarche and Droste (1989) M 135)
7.6×10−3 Guitart et al. (1989) M 19)
6.4×10−3 1500 Ashworth et al. (1988) M 103)
8.4×10−3 3500 Leighton and Calo (1981) M
9.0×10−3 Warner et al. (1980) M
4.4×10−3 Sato and Nakajima (1979b) M 19)
1.1×10−2 Pearson and McConnell (1975) M 9) 248)
7.9×10−3 4400 Hartkopf and Karger (1973) M
7.2×10−3 Saylor et al. (1938) M 23)
8.6×10−3 4400 Rex (1906) M
8.2×10−3 Mackay et al. (2006b) V
8.3×10−3 Mackay et al. (1993) V
7.3×10−3 Warner et al. (1980) V
8.1×10−3 Dilling (1977) V
7.5×10−3 Hine and Mookerjee (1975) V
8.5×10−3 3700 Barr and Newsham (1987) X 116)
9.0×10−3 2400 Goldstein (1982) X 116)
8.6×10−3 Harrison et al. (1993) C
9.0×10−3 Harrison et al. (1993) C
1.1×10−2 Ryan et al. (1988) C
9.0×10−3 Shen (1982) C
1.0×10−2 Dilling (1977) C
1.0×10−2 Hilal et al. (2008) Q
3300 Kühne et al. (2005) Q
1.8×10−3 Nirmalakhandan and Speece (1988a) Q
4.2×10−3 MacBean (2012a) ?
7.0×10−3 Mackay et al. (2006b) ?
3600 Kühne et al. (2005) ?
7.0×10−3 Mackay et al. (1993) ?
8.3×10−3 Yaws and Yang (1992) ? 92)
8.2×10−3 Abraham et al. (1990) ?
1.2×10−2 Chiou et al. (1980) ? 27)

Data

The first column contains Henry's law solubility constant Hscp at the reference temperature of 298.15 K.
The second column contains the temperature dependence d ln Hs cp / d (1/T), also at the reference temperature.

References

  • Abraham, M. H., Whiting, G. S., Fuchs, R., & 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., & 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).
  • Ayuttaya, P. C. N., Rogers, T. N., Mullins, M. E., & Kline, A. A.: Henry’s law constants derived from equilibrium static cell measurements for dilute organic-water mixtures, Fluid Phase Equilib., 185, 359–377, doi:10.1016/S0378-3812(01)00484-8 (2001).
  • Barr, R. S. & 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).
  • Bissonette, E. M., Westrick, J. J., & 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., & 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).
  • Chiou, C. T., Freed, V. H., Peters, L. J., & Kohnert, R. L.: Evaporation of solutes from water, Environ. Int., 3, 231–236, doi:10.1016/0160-4120(80)90123-3 (1980).
  • Dewulf, J., Drijvers, D., & 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).
  • Fogg, P. & 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).
  • Guitart, R., Puigdemont, F., & 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).
  • Harrison, D. P., Valsaraj, K. T., & Wetzel, D. M.: Air stripping of organics from ground water, Waste Manage., 13, 417–429, doi:10.1016/0956-053X(93)90074-7 (1993).
  • Hartkopf, A. & Karger, B. L.: Study of the interfacial properties of water by gas chromatography, Acc. Chem. Res., 6, 209–216, doi:10.1021/AR50066A006 (1973).
  • 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., & 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. & 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., & 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, Š. & 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).
  • Kondoh, H. & 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).
  • Kühne, R., Ebert, R.-U., & 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).
  • Lamarche, P. & 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. & 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., & 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).
  • MacBean, C.: The Pesticide Manual, 16th Edition, Supplementary Entries - Extended, Tech. rep., British Crop Production Council (2012a).
  • Mackay, D. & 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., & 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., & 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. & Speece, R. E.: QSAR model for predicting Henry’s constant, Environ. Sci. Technol., 22, 1349–1357, doi:10.1021/ES00176A016 (1988a).
  • Pearson, C. R. & 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).
  • 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., & 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. & Nakajima, T.: A structure-activity relationship of some chlorinated hydrocarbons, Arch. Environ. Health, 34, 69–75, doi:10.1080/00039896.1979.10667371 (1979b).
  • Saylor, J. H., Stuckey, J. M., & Gross, P. M.: Solubility studies. V. the validity of Henry’s law for the calculation of vapor solubilities, J. Am. Chem. Soc., 60, 373–376, doi:10.1021/JA01269A041 (1938).
  • 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. & 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. & 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., & 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., & 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., & 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. & 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.
23) Value at T = 303 K.
27) Value at T = 297 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).
131) Value obtained by applying the EPICS method, see Ayuttaya et al. (2001) for details.
132) Value obtained by applying the static cell (linear form) method, see Ayuttaya et al. (2001) for details.
133) Value obtained by applying the direct phase concentration ratio method, see Ayuttaya et al. (2001) for details.
134) Value obtained by applying the static cell (non-linear form) method, see Ayuttaya et al. (2001) for details.
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).

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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