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Henry's Law Constants

Rolf Sander

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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 Constants → Organic species with oxygen (O) → Ethers (ROR) → diisopropyl ether

FORMULA:C3H7OC3H7
CAS RN:108-20-3
STRUCTURE
(FROM NIST):
InChIKey:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.9×10−3 6400 Arp and Schmidt 2004 M
4.3×10−3 Miller and Stuart 2000 M 126)
4.7×10−3 Dohnal and Hovorka 1999 M
4.8×10−3 Nielsen et al. 1994 M
4.2×10−3 Li and Carr 1993 M
4.4×10−3 Li et al. 1993 M
2.8×10−3 Guitart et al. 1989 M 19)
4.3×10−3 HSDB 2015 V
3.9×10−3 Mackay et al. 2006c V
3.1×10−3 6400 Pankow et al. 1996 V
3.9×10−3 Mackay et al. 1993 V
9.9×10−4 Hine and Mookerjee 1975 V
9.8×10−4 Hine and Weimar 1965 V
3.7×10−3 Hilal et al. 2008 Q
6600 Kühne et al. 2005 Q
8.0×10−4 Nirmalakhandan et al. 1997 Q
7200 Kühne et al. 2005 ?
5.7×10−3 Yaws and Yang 1992 ? 92)
9.9×10−4 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.
  • Arp, H. P. H. and Schmidt, T. C.: Air-water transfer of MTBE, its degradation products, and alternative fuel oxygenates: the role of temperature, Environ. Sci. Technol., 38, 5405-5412, doi:10.1021/ES049286O, 2004.
  • Dohnal, V. and Hovorka, S.: 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.
  • Guitart, R., Puigdemont, F., and Arboix, M.: Rapid headspace gas chromatographic method for the determination of liquid/gas partition coefficients, J. Chromatogr., 491, 271-280, doi:10.1016/S0378-4347(00)82845-5, 1989.
  • 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.
  • Hine, J. and Weimar, Jr., R. D.: Carbon basicity, J. Am. Chem. Soc., 87, 3387-3396, doi:10.1021/JA01093A018, 1965.
  • HSDB: Hazardous Substances Data Bank, TOXicology data NETwork (TOXNET), National Library of Medicine (US), http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm, 2015.
  • 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.
  • 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.
  • Li, J., Dallas, A. J., Eikens, D. I., Carr, P. W., Bergmann, D. L., Hait, M. J., and Eckert, C. A.: Measurement of large infinite dilution activity coefficients of nonelectrolytes in water by inert gas stripping and gas chromatography, Anal. Chem., 65, 3212-3218, doi:10.1021/AC00070A008, 1993.
  • 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. III of Oxygen Containing Compounds , CRC/Taylor & Francis Group, 2006c.
  • Miller, M. E. and Stuart, J. D.: Measurement of aqueous Henry's law constants for oxygenates and aromatics found in gasolines by the static headspace method, Anal. Chem., 72, 622-625, doi:10.1021/AC990757C, 2000.
  • Nielsen, F., Olsen, E., and Fredenslund, A.: Henry's law constants and infinite dilution activity coefficients for volatile organic compounds in water by a validated batch air stripping method, Environ. Sci. Technol., 28, 2133-2138, doi:10.1021/ES00061A022, 1994.
  • Nirmalakhandan, N., Brennan, R. A., and 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.
  • Pankow, J. F., Rathbun, R. E., and Zogorski, J. S.: Calculated volatilization rates of fuel oxygenate compounds and other gasoline-related compounds from rivers and streams, Chemosphere, 33, 921-937, doi:10.1016/0045-6535(96)00227-5, 1996.
  • 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

19) Value at T = 310 K.
92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
126) Value at T = 296 K.

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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