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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

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 ConstantsHydrocarbons (C, H)Alkanes → octane

FORMULA:C8H18
CAS RN:111-65-9
STRUCTURE
(FROM NIST):
InChIKey:TVMXDCGIABBOFY-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.1×10−6 4300 Abraham and Matteoli 1988 L
3.3×10−6 Mackay and Shiu 1981 L
3.4×10−6 Ryu and Park 1999 M
3.3×10−6 Park et al. 1997 M 101)
3.0×10−5 8000 Hansen et al. 1993 M 105)
3.1×10−6 4100 Heidman et al. 1985 M
2.9×10−6 5400 Jönsson et al. 1982 M
3.1×10−6 Rytting et al. 1978 M
3.1×10−6 HSDB 2015 V
8.6×10−7 Abraham and Acree 2007 V
3.2×10−6 Mackay et al. 2006a V
3.8×10−6 4800 Sarraute et al. 2004 V
3.2×10−6 Mackay et al. 1993 V
3.0×10−6 Hwang et al. 1992 V
3.1×10−6 Meylan and Howard 1991 V
3.2×10−6 Eastcott et al. 1988 V
3.1×10−6 Hine and Mookerjee 1975 V
3.1×10−6 Mackay and Leinonen 1975 V
3.9×10−6 Hilal et al. 2008 Q
4700 Kühne et al. 2005 Q
3.3×10−6 Meylan and Howard 1991 Q
5.0×10−6 Nirmalakhandan and Speece 1988a Q
5400 Kühne et al. 2005 ?
2.0×10−6 Yaws and Yang 1992 ? 92)
3.1×10−6 Abraham et al. 1990 ?

References

  • Abraham, M. H. and Acree, Jr., W. E.: Prediction of gas to water partition coefficients from 273 to 373 K using predicted enthalpies and heat capacities of hydration, Fluid Phase Equilib., 262, 97-110, doi:10.1016/J.FLUID.2007.08.011, 2007.
  • Abraham, M. H. and Matteoli, E.: The temperature variation of the hydrophobic effect, J. Chem. Soc. Faraday Trans. 1, 84, 1985-2000, doi:10.1039/F19888401985, 1988.
  • 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.
  • Eastcott, L., Shiu, W. Y., and Mackay, D.: Environmentally relevant physical-chemical properties of hydrocarbons: A review of data and development of simple correlations, Oil Chem. Pollut., 4, 191-216, doi:10.1016/S0269-8579(88)80020-0, 1988.
  • 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.
  • Heidman, J. L., Tsonopoulos, C., Brady, C. J., and Wilson, G. M.: High-temperature mutual solubilities of hydrocarbons and water. Part II: Ethylbenzene, ethylcyclohexane, and n-octane, AIChE J., 31, 376-384, doi:10.1002/AIC.690310304, 1985.
  • 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.
  • 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.
  • Jönsson, J. Å., Vejrosta, J., and Novák, J.: Air/water partition coefficients for normal alkanes (n-pentane to n-nonane), Fluid Phase Equilib., 9, 279-286, doi:10.1016/0378-3812(82)80023-X, 1982.
  • 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.
  • Mackay, D. and Leinonen, P. J.: Rate of evaporation of low-solubility contaminants from water bodies to atmosphere, Environ. Sci. Technol., 9, 1178-1180, doi:10.1021/ES60111A012, 1975.
  • 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. I of Introduction and Hydrocarbons , CRC/Taylor & Francis Group, 2006a.
  • Meylan, W. M. and Howard, P. H.: Bond contribution method for estimating Henry's law constants, Environ. Toxicol. Chem., 10, 1283-1293, doi:10.1002/ETC.5620101007, 1991.
  • 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.
  • Rytting, J. H., Huston, L. P., and Higuchi, T.: Thermodynamic group contributions for hydroxyl, amino, and methylene groups, J. Pharm. Sci., 69, 615-618, doi:10.1002/JPS.2600670510, 1978.
  • 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.
  • Sarraute, S., Delepine, H., Costa Gomes, M. F., and Majer, V.: Aqueous solubility, Henry's law constants and air/water partition coefficients of n-octane and two halogenated octanes, Chemosphere, 57, 1543-1551, doi:10.1016/J.CHEMOSPHERE.2004.07.046, 2004.
  • 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

92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
101) Apparently, the values in Table 2 of Park et al. (1997) show log10(Kaw) and not Kaw as their figure caption states.
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.

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