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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)Alcohols (ROH) → 2-propanol

FORMULA:C3H7OH
TRIVIAL NAME: isopropanol
CAS RN:67-63-0
STRUCTURE
(FROM NIST):
InChIKey:KFZMGEQAYNKOFK-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.3 7500 Sander et al. 2011 L
1.3 7500 Sander et al. 2006 L
1.2 6200 Fogg and Sangster 2003 L
1.1 8400 Hiatt 2013 M
6.8×10−1 Helburn et al. 2008 M
Cheng et al. 2004 M 123)
Cheng et al. 2003 M 123)
1.8×10−1 Ayuttaya et al. 2001 M 131)
1.0×10−3 Ayuttaya et al. 2001 M 132)
5.7×10−1 Ayuttaya et al. 2001 M 133)
1.1 Kim et al. 2000 M
9.2×10−1 Altschuh et al. 1999 M
7.9×10−1 5700 Kolb et al. 1992 M 102)
1.2 7400 Snider and Dawson 1985 M
1.2 Rytting et al. 1978 M
1.2 Butler et al. 1935 M
1.7 Hine and Weimar 1965 R
4.3×10−1 Hilal et al. 2008 Q
6900 Kühne et al. 2005 Q
8.9×10−1 Yaws et al. 1997 Q
1.1 Nirmalakhandan and Speece 1988a Q
1.3 Taft et al. 1985 Q
6000 Kühne et al. 2005 ?
8.8×10−1 Yaws and Yang 1992 ? 92)
1.2 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.
  • 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.
  • Ayuttaya, P. C. N., Rogers, T. N., Mullins, M. E., and Kline, A. A.: Henry's law constants derived from equilibrium static cell measurements for dilute organic-water mixtures, Fluid Phase Equilib., 185, 359-377, doi:10.1016/S0378-3812(01)00484-8, 2001.
  • 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., Chu, F.-S., and Liou, J.-J.: Air-water interface equilibrium partitioning coefficients of aromatic hydrocarbons, Atmos. Environ., 37, 4807-4815, doi:10.1016/J.ATMOSENV.2003.08.012, 2003.
  • 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.
  • Fogg, P. and Sangster, J.: Chemicals in the Atmosphere: Solubility, Sources and Reactivity, John Wiley & Sons, Inc., 2003.
  • 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.
  • Hiatt, M. H.: Determination of Henry's law constants using internal standards with benchmark values, J. Chem. Eng. Data, 58, 902-908, doi:10.1021/JE3010535, 2013.
  • 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 Weimar, Jr., R. D.: Carbon basicity, J. Am. Chem. Soc., 87, 3387-3396, doi:10.1021/JA01093A018, 1965.
  • 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, B. R., Kalis, E. M., DeWulf, T., and Andrews, K. M.: Henry's Law constants for paint solvents and their implications on volatile organic compound emissions from automotive painting, Water Environ. Res., 72, 65-74, doi:10.2175/106143000X137121, 2000.
  • 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.
  • 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.
  • 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.
  • Taft, R. W., Abraham, M. H., Doherty, R. M., and Kamlet, M. J.: The molecular properties governing solubilities of organic nonelectrolytes in water, Nature, 313, 384-386, doi:10.1038/313384A0, 1985.
  • 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.
  • 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

92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
102) Extrapolated from data measured between 40 °C and 80 °C.
123) It was found that H changes with the concentration of the solution.
131) Value obtained by applying the EPICS method, see Ayuttaya et al. (2001) for details.
132) Value obtained by applying the static cell (linear form) method, see Ayuttaya et al. (2001) for details.
133) Value obtained by applying the direct phase concentration ratio method, see Ayuttaya et al. (2001) for details.

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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