MPG

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)Alcohols (ROH) → 2-methyl-1-propanol

FORMULA:C4H10O
TRIVIAL NAME: isobutanol
CAS RN:78-83-1
STRUCTURE
(FROM NIST):
InChIKey:ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.0 Sander et al. 2011 L
1.0 Sander et al. 2006 L
2.2×10−1 Kim and Kim 2014 M
Cheng et al. 2004 M 123)
1.1 Altschuh et al. 1999 M
3.7×10−1 Shiu and Mackay 1997 M
1.0 Snider and Dawson 1985 M
8.0×10−1 Rytting et al. 1978 M
8.3×10−1 Butler et al. 1935 M
7.3×10−1 Mackay et al. 2006c V
7.3×10−1 Shiu and Mackay 1997 V
7.3×10−1 Mackay et al. 1995 V
5.1×10−1 Hilal et al. 2008 Q
7200 Kühne et al. 2005 Q
8.3×10−1 Yaws et al. 1997 Q
8.4×10−1 Nirmalakhandan and Speece 1988a Q
8100 Kühne et al. 2005 ?
8.0×10−1 Abraham et al. 1990 ?
9.6×10−1 Mackay and Yeun 1983 ?

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.
  • Altschuh, J., Brüggemann, R., Santl, H., Eichinger, G., and Piringer, O. G.: Henry's law constants for a diverse set of organic chemicals: Experimental determination and comparison of estimation methods, Chemosphere, 39, 1871-1887, doi:10.1016/S0045-6535(99)00082-X, 1999.
  • Butler, J. A. V., Ramchandani, C. N., and Thomson, D. W.: The solubility of non-electrolytes. Part I. The free energy of hydration of some aliphatic alcohols, J. Chem. Soc., pp. 280-285, doi:10.1039/JR9350000280, 1935.
  • Cheng, W.-H., Chou, M.-S., Perng, C.-H., and Chu, F.-S.: Determining the equilibrium partitioning coefficients of volatile organic compounds at an air-water interface, Chemosphere, 54, 935-942, doi:10.1016/J.CHEMOSPHERE.2003.08.038, 2004.
  • 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.
  • 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.
  • 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.
  • Mackay, D. and Yeun, A. T. K.: Mass transfer coefficient correlations for volatilization of organic solutes from water, Environ. Sci. Technol., 17, 211-217, doi:10.1021/ES00110A006, 1983.
  • 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.
  • 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.
  • Sander, S. P., Friedl, R. R., Golden, D. M., Kurylo, M. J., Moortgat, G. K., Keller-Rudek, H., Wine, P. H., Ravishankara, A. R., Kolb, C. E., Molina, M. J., Finlayson-Pitts, B. J., Huie, R. E., and Orkin, V. L.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation Number 15, JPL Publication 06-2, Jet Propulsion Laboratory, Pasadena, CA, http://jpldataeval.jpl.nasa.gov, 2006.
  • Sander, S. P., Abbatt, J., Barker, J. R., Burkholder, J. B., Friedl, R. R., Golden, D. M., Huie, R. E., Kolb, C. E., Kurylo, M. J., Moortgat, G. K., Orkin, V. L., and Wine, P. H.: Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 17, JPL Publication 10-6, Jet Propulsion Laboratory, Pasadena, http://jpldataeval.jpl.nasa.gov, 2011.
  • 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.
  • Snider, J. R. and Dawson, G. A.: Tropospheric light alcohols, carbonyls, and acetonitrile: Concentrations in the southwestern United States and Henry's law data, J. Geophys. Res., 90D, 3797-3805, doi:10.1029/JD090ID02P03797, 1985.
  • Yaws, C. L., Hopper, J. R., Sheth, S. D., Han, M., and Pike, R. W.: Solubility and Henry's law constant for alcohols in water, Waste Manage., 17, 541-547, doi:10.1016/S0956-053X(97)10057-5, 1997.

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

123) It was found that H changes with the concentration of the solution.

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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