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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


Henry's Law ConstantsOrganic species with bromine (Br)Bromocarbons (C, H, O, N, Br) → tribromomethane

FORMULA:CHBr3
TRIVIAL NAME: bromoform
CAS RN:75-25-2
STRUCTURE
(FROM NIST):
InChIKey:DIKBFYAXUHHXCS-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.7×10−2 5200 Sander et al. (2011) L
1.7×10−2 5200 Sander et al. (2006) L
1.7×10−2 5200 Staudinger and Roberts (2001) L
1.7×10−2 5200 Staudinger and Roberts (1996) L
1.6×10−2 Mackay and Shiu (1981) L
2.2×10−2 6300 Hiatt (2013) M
9.6×10−3 Zhang et al. (2002) M 19)
2.3×10−2 Hovorka and Dohnal (1997) M 9)
1.4×10−2 4500 Kondoh and Nakajima (1997) M
1.4×10−2 5200 Moore et al. (1995) M 127)
8.5×10−3 1500 Khalfaoui and Newsham (1994a) M
2.3×10−2 5700 Wright et al. (1992) M
1.9×10−2 5000 Tse et al. (1992) M
1.8×10−2 4700 Munz and Roberts (1987) M
1.6×10−2 5700 Nicholson et al. (1984) M
1.9×10−2 Warner et al. (1980) M
1.7×10−2 Mackay et al. (2006b) V
1.8×10−2 5300 Fogg and Sangster (2003) V
1.7×10−2 Mackay et al. (1993) V
1.7×10−2 Warner et al. (1980) V
1.5×10−2 Hine and Mookerjee (1975) V
1.8×10−2 2700 Goldstein (1982) X 116)
1.7×10−2 Ryan et al. (1988) C
1.7×10−2 Nicholson et al. (1984) C
1.9×10−2 Shen (1982) C
7.3×10−3 Hilal et al. (2008) Q
5600 Kühne et al. (2005) Q
2.4×10−2 Nirmalakhandan and Speece (1988a) Q
2.1×10−2 Mackay et al. (2006b) ?
5000 Kühne et al. (2005) ?
1.7×10−2 Yaws (1999) ?
2.1×10−2 Mackay et al. (1993) ?
1.5×10−2 Abraham et al. (1990) ?

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).
  • 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).
  • 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).
  • 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).
  • Khalfaoui, B. & Newsham, D. M. T.: Phase equilibria in very dilute mixtures of water and brominated hydrocarbons, Fluid Phase Equilib., 98, 213–223, doi:10.1016/0378-3812(94)80120-7 (1994a).
  • 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).
  • 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).
  • Moore, R. M., Geen, C. E., & Tait, V. K.: Determination of Henry’s law constants for a suite of naturally occuring halogenated methanes in seawater, Chemosphere, 30, 1183–1191, doi:10.1016/0045-6535(95)00009-W (1995).
  • Munz, C. & 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).
  • Nicholson, B. C., Maguire, B. P., & Bursill, D. B.: Henry’s law constants for the trihalomethanes: Effects of water composition and temperature, Environ. Sci. Technol., 18, 518–521, doi:10.1021/ES00125A006 (1984).
  • Nirmalakhandan, N. N. & 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., & 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).
  • Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., & Orkin, V. L.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15, JPL Publication 06-2, Jet Propulsion Laboratory, Pasadena, CA, URL http://jpldataeval.jpl.nasa.gov (2006).
  • Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., & Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, URL http://jpldataeval.jpl.nasa.gov (2011).
  • 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).
  • 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., ed.: Chemical Properties Handbook, McGraw-Hill, Inc. (1999).
  • Zhang, S. B. L., Wang, S., & Franzblau, A.: Partition coefficients for the trihalomethanes among blood, urine, water, milk and air, Sci. Total Environ., 284, 237–247, doi:10.1016/S0048-9697(01)00890-7 (2002).

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.
116) Value given here as quoted by Staudinger and Roberts (1996).
127) Solubility in sea water.

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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