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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) → 1,2-dibromoethane

FORMULA:C2H4Br2
TRIVIAL NAME: ethylene dibromide
CAS RN:106-93-4
STRUCTURE
(FROM NIST):
InChIKey:PAAZPARNPHGIKF-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.7×10−2 5500 Hiatt (2013) M
1.9×10−2 Dohnal and Hovorka (1999) M 9)
1.9×10−2 Hovorka and Dohnal (1997) M 9)
1.8×10−2 5500 Kondoh and Nakajima (1997) M
1.1×10−2 3000 Khalfaoui and Newsham (1994a) M
1.5×10−2 3900 Ashworth et al. (1988) M 103)
1.5×10−2 Mackay et al. (2006b) V
2.1×10−3 Mackay et al. (1993) V
1.4×10−2 Hine and Mookerjee (1975) V
1.1×10−2 1900 Goldstein (1982) X 116)
1.5×10−2 HSDB (2015) C
3.9×10−2 Hilal et al. (2008) Q
4800 Kühne et al. (2005) Q
7.5×10−3 Nirmalakhandan and Speece (1988a) Q
1.5×10−2 Mackay et al. (2006b) ?
4200 Kühne et al. (2005) ?
1.5×10−2 Mackay et al. (1993) ?
1.4×10−2 Yaws and Yang (1992) ? 92)
2.1×10−2 Abraham et al. (1990) ?
1.6×10−2 Mackay and Yeun (1983) ?
1.8×10−2 Chiou et al. (1980) ? 27)

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).
  • 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).
  • Dohnal, V. & Hovorka, Š.: 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).
  • 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).
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm (2015).
  • 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. & Yeun, A. T. K.: Mass transfer coefficient correlations for volatilization of organic solutes from water, Environ. Sci. Technol., 17, 211–217, doi:10.1021/ES00110A006 (1983).
  • 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).
  • 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.
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).

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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