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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 ConstantsOrganic species with oxygen (O)Ethers (ROR) → diisopropyl ether

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

Hscp d ln Hs cp / 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., & 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. & 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. & Hovorka, Š.: 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., & 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., & 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. & 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. & 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), URL http://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm (2015).
  • 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).
  • Li, J. & 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., & 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., & 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. III of Oxygen Containing Compounds, CRC/Taylor & Francis Group (2006c).
  • Miller, M. E. & 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., & 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., & 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., & 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. & 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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