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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 ConstantsHydrocarbons (C, H)Alkanes → nonane

FORMULA:C9H20
CAS RN:111-84-2
STRUCTURE
(FROM NIST):
InChIKey:BKIMMITUMNQMOS-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.0×10−6 Mackay and Shiu (1981) L
2.2×10−6 Ryu and Park (1999) M
1.9×10−6 Park et al. (1997) M 101)
2.3×10−5 200 Ashworth et al. (1988) M 103)
1.8×10−6 7300 Jönsson et al. (1982) M
2.9×10−6 HSDB (2015) V
3.0×10−6 Mackay et al. (2006a) V
3.0×10−6 Mackay et al. (1993) V
1.7×10−6 Eastcott et al. (1988) V
2.0×10−6 Abraham (1984) V
3.0×10−6 Hilal et al. (2008) Q
5000 Kühne et al. (2005) Q
3.8×10−6 Nirmalakhandan et al. (1997) Q
4100 Kühne et al. (2005) ?
1.7×10−6 Yaws and Yang (1992) ? 92)

References

  • Abraham, M. H.: Thermodynamics of solution of homologous series of solutes in water, J. Chem. Soc. Faraday Trans. 1, 80, 153–181, doi:10.1039/F19848000153 (1984).
  • 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).
  • Eastcott, L., Shiu, W. Y., & 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).
  • 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).
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), URL http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm (2015).
  • Jönsson, J. Å., Vejrosta, J., & 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., & 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. I of Introduction and Hydrocarbons, CRC/Taylor & Francis Group (2006a).
  • Nirmalakhandan, N., Brennan, R. A., & Speece, R. E.: Predicting Henry’s law constant and the effect of temperature on Henry’s law constant, Wat. Res., 31, 1471–1481, doi:10.1016/S0043-1354(96)00395-8 (1997).
  • Park, S.-J., Han, S.-D., & 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).
  • Ryu, S.-A. & 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).
  • 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

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.
103) The value is most probably taken from the report by Howe et al. (1987).

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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