MPG

Henry's Law Constants

www.henrys-law.org

Rolf Sander

Atmospheric Chemistry Division

Max-Planck Institute for Chemistry
Mainz, Germany


Home

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 bromine (Br)Bromocarbons (C, H, O, N, Br) → bromobenzene

FORMULA:C6H5Br
CAS RN:108-86-1
STRUCTURE
(FROM NIST):
InChIKey:QARVLSVVCXYDNA-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
5.0×10−3 4200 Fogg and Sangster 2003 L
4.8×10−3 Mackay and Shiu 1981 L
6.0×10−3 4300 Hiatt 2013 M
3.9×10−3 2900 Lau et al. 2010 M 89)
5.0×10−3 de Wolf and Lieder 1998 M 31)
4.0×10−3 Shiu and Mackay 1997 M
6.1×10−3 Hovorka and Dohnal 1997 M 9)
4.9×10−3 4200 Kondoh and Nakajima 1997 M
5.3×10−3 5300 Hansen et al. 1993 M 105)
4.4×10−3 Li and Carr 1993 M
4.0×10−3 Mackay and Shiu 1981 M
4.7×10−3 Shiu and Mackay 1997 V
4.7×10−3 Mackay et al. 1993 V
5.0×10−3 Hwang et al. 1992 V
4.7×10−3 Hine and Mookerjee 1975 V
4.7×10−3 HSDB 2015 C
4.0×10−3 Schüürmann 2000 C 7)
5.2×10−3 Hilal et al. 2008 Q
4800 Kühne et al. 2005 Q
7.3×10−3 Nirmalakhandan and Speece 1988a Q
4300 Kühne et al. 2005 ?
4.7×10−3 Yaws and Yang 1992 ? 92)
4.7×10−3 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.
  • de Wolf, W. and Lieder, P. H.: A novel method to determine uptake and elimination kinetics of volatile chemicals in fish, Chemosphere, 36, 1713-1724, doi:10.1016/S0045-6535(97)10062-5, 1998.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • Hansen, K. C., Zhou, Z., Yaws, C. L., and Aminabhavi, T. M.: Determination of Henry's law constants of organics in dilute aqueous solutions, J. Chem. Eng. Data, 38, 546-550, doi:10.1021/JE00012A017, 1993.
  • 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.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • 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.
  • 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.
  • Lau, K., Rogers, T. N., and Chesney, D. J.: Measuring the aqueous Henry's law constant at elevated temperatures using an extended EPICS technique, J. Chem. Eng. Data, 55, 5144-5148, doi:10.1021/JE100701W, 2010.
  • Li, J. and Carr, P. W.: Measurement of water-hexadecane partition coefficients by headspace gas chromatography and calculation of limiting activity coefficients in water, Anal. Chem., 65, 1443-1450, doi:10.1021/AC00058A023, 1993.
  • 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.
  • 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.
  • Schüürmann, G.: Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models, J. Comput. Chem., 21, 17-34, doi:10.1002/(SICI)1096-987X(20000115)21:1<17::AID-JCC3>3.0.CO;2-5, 2000.
  • Shiu, W.-Y. and Mackay, D.: Henry's law constants of selected aromatic hydrocarbons, alcohols, and ketones, J. Chem. Eng. Data, 42, 27-30, doi:10.1021/JE960218U, 1997.
  • 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

7) Several references are given in the list of Henry's law constants but not assigned to specific species.
9) Value at T = 293 K.
31) Value at T = 295 K.
89) Measured at high temperature and extrapolated to T = 298.15 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
105) The same data were also published in Hansen et al. (1995).

The numbers of the notes are the same as in Sander (2015). References cited in the notes can be found here.

* * *

Search Henry's Law Database

Species Search:

Identifier Search:

Reference Search:

* * *

Convert Henry's Law Constants

Convert:

* * *