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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 ConstantsOrganic species with oxygen (O)Esters (RCOOR) → butyl ethanoate

FORMULA:CH3COOC4H9
TRIVIAL NAME: butyl acetate
CAS RN:123-86-4
STRUCTURE
(FROM NIST):
InChIKey:DKPFZGUDAPQIHT-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
2.4×10−2 Kim and Kim 2014 M
3.5×10−2 6300 Fenclová et al. 2014 M
2.1×10−2 Helburn et al. 2008 M
2.3×10−2 4300 Kolb et al. 1992 M 102)
3.5×10−2 6000 Kieckbusch and King 1979 M
3.2×10−2 Mackay et al. 2006c V
3.2×10−2 Mackay et al. 1995 V
2.7×10−2 Hwang et al. 1992 V
3.0×10−2 Hine and Mookerjee 1975 V
3.5×10−2 7500 Janini and Quaddora 1986 X 116)
2.1×10−2 3200 Goldstein 1982 X 116)
2.3×10−2 Hilal et al. 2008 Q
5500 Kühne et al. 2005 Q
2.6×10−2 Nirmalakhandan and Speece 1988a Q
5300 Kühne et al. 2005 ?
3.5×10−2 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.
  • Fenclová, D., Blahut, A., Vrbka, P., Dohnal, V., and Böhme, A.: Temperature dependence of limiting activity coefficients, Henry's law constants, and related infinite dilution properties of C4-C6 isomeric n-alkyl ethanoates/ethyl n-alkanoates in water. Measurement, critical compilation, correlation, and recommended data, Fluid Phase Equilib., 375, 347-359, doi:10.1016/J.FLUID.2014.05.023, 2014.
  • 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.
  • Helburn, R., Albritton, J., Howe, G., Michael, L., and Franke, D.: Henry's law constants for fragrance and organic solvent compounds in aqueous industrial surfactants, J. Chem. Eng. Data, 53, 1071-1079, doi:10.1021/JE700418A, 2008.
  • 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.
  • 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.
  • Janini, G. M. and Quaddora, L. A.: Determination of activity coefficients of oxygenated hydrocarbons by liquid-liquid chromatography, J. Liq. Chromatogr., 9, 39-53, doi:10.1080/01483918608076621, 1986.
  • 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.
  • Kieckbusch, T. G. and King, C. J.: An improved method of determining vapor liquid equilibria for dilute organics in aqueous solution, J. Chromatogr. Sci., 17, 273-276, doi:10.1093/CHROMSCI/17.5.273, 1979.
  • Kim, Y.-H. and Kim, K.-H.: Recent advances in thermal desorption-gas chromatography-mass spectrometery method to eliminate the matrix effect between air and water samples: Application to the accurate determination of Henry's law constant, J. Chromatogr. A, 1342, 78-85, doi:10.1016/J.CHROMA.2014.03.040, 2014.
  • Kolb, B., Welter, C., and Bichler, C.: Determination of partition coefficients by automatic equilibrium headspace gas chromatography by vapor phase calibration, Chromatographia, 34, 235-240, doi:10.1007/BF02268351, 1992.
  • Mackay, D., Shiu, W. Y., and Ma, K. C.: Illustrated Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Oxygen, Nitrogen, and Sulfur Containing Compounds , Lewis Publishers, Boca Raton, 1995.
  • Mackay, D., Shiu, W. Y., Ma, K. C., and Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. III of Oxygen Containing Compounds , CRC/Taylor & Francis Group, 2006c.
  • 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.

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

102) Extrapolated from data measured between 40 °C and 80 °C.
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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