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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) → Aldehydes (RCHO) → benzaldehyde

FORMULA:C6H5CHO
CAS RN:100-52-7
STRUCTURE
(FROM NIST):
InChIKey:HUMNYLRZRPPJDN-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.8×10−1 5500 Staudinger and Roberts 2001 L
3.9×10−1 4800 Staudinger and Roberts 1996 L
3.2×10−1 6300 Allou et al. 2011 M
3.5×10−1 7000 Allen et al. 1998 M
4.2×10−1 4600 Zhou and Mopper 1990 M 188)
3.7×10−1 5100 Betterton and Hoffmann 1988 M 192)
1.6×10−1 Mackay et al. 2006c V
1.6×10−1 Mackay et al. 1995 V
3.6×10−1 Hine and Mookerjee 1975 V
3.5×10−1 5400 Bagno et al. 1991 T 196)
3.6×10−1 Gaffney and Senum 1984 X 153)
3.7×10−1 Schüürmann 2000 C 7)
7.7×10−1 Hilal et al. 2008 Q
2.6×10−2 Emel'yanenko et al. 2007 Q 166)
2.6×10−2 Hertel and Sommer 2006 Q 166)
5800 Kühne et al. 2005 Q
7.2×10−1 Nirmalakhandan et al. 1997 Q
4.4×10−1 Mackay et al. 2006c ? 7)
5400 Kühne et al. 2005 ?
3.6×10−1 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.
  • Allen, J. M., Balcavage, W. X., Ramachandran, B. R., and Shrout, A. L.: Determination of Henry's Law constants by equilibrium partitioning in a closed system using a new in situ optical absorbance method, Environ. Toxicol. Chem., 17, 1216-1221, doi:10.1002/ETC.5620170704, 1998.
  • Allou, L., El Maimouni, L., and Le Calvé, S.: Henry's law constant measurements for formaldehyde and benzaldehyde as a function of temperature and water composition, Atmos. Environ., 45, 2991-2998, doi:10.1016/J.ATMOSENV.2010.05.044, 2011.
  • Bagno, A., Lucchini, V., and Scorrano, G.: Thermodynamics of protonation of ketones and esters and energies of hydration of their conjugate acids, J. Phys. Chem., 95, 345-352, doi:10.1021/J100154A063, 1991.
  • Betterton, E. A. and Hoffmann, M. R.: Henry's law constants of some environmentally important aldehydes, Environ. Sci. Technol., 22, 1415-1418, doi:10.1021/ES00177A004, 1988.
  • Emel'yanenko, V. N., Dabrowska, A., Verevkin, S. P., Hertel, M. O., Scheuren, H., and Sommer, K.: Vapor Pressures, Enthalpies of Vaporization, and Limiting Activity Coefficients in Water at 100 ° C of 2-Furanaldehyde, Benzaldehyde, Phenylethanal, and 2-Phenylethanol, J. Chem. Eng. Data, 52, 468-471, doi:10.1021/JE060406C, 2007.
  • Gaffney, J. S. and Senum, G. I.: Peroxides, peracids, aldehydes, and PANs and their links to natural and anthropogenic organic sources, in: Gas-Liquid Chemistry of Natural Waters, edited by Newman, L., pp. 5-1-5-7, NTIS TIC-4500, UC-11, BNL 51757 Brookhaven National Laboratory, 1984.
  • Hertel, M. O. and Sommer, K.: Limiting separation factors and limiting activity coefficients for 2-furfural, γ-nonalactone, benzaldehyde, and linalool in water at 100 ° C, J. Chem. Eng. Data, 51, 1283-1285, doi:10.1021/JE0600404, 2006.
  • 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.
  • 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.
  • 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., 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.
  • Schüürmann, G.: Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models, J. Comput. Chem., 21, 17-34, doi:10.1002/(SICI)1096-987X(20000115)21:1<17::AID-JCC3>3.0.CO;2-5, 2000.
  • Staudinger, J. and Roberts, P. V.: A critical review of Henry's law constants for environmental applications, Crit. Rev. Environ. Sci. Technol., 26, 205-297, doi:10.1080/10643389609388492, 1996.
  • Staudinger, J. and Roberts, P. V.: A critical compilation of Henry's law constant temperature dependence relations for organic compounds in dilute aqueous solutions, Chemosphere, 44, 561-576, doi:10.1016/S0045-6535(00)00505-1, 2001.
  • Zhou, X. and Mopper, K.: Apparent partition coefficients of 15 carbonyl compounds between air and seawater and between air and freshwater; Implications for air-sea exchange, Environ. Sci. Technol., 24, 1864-1869, doi:10.1021/ES00082A013, 1990.

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

7) Several references are given in the list of Henry's law constants but not assigned to specific species.
153) Value given here as quoted by Gaffney et al. (1987).
166) Value at T = 373 K.
188) Data from Table 1 by Zhou and Mopper (1990) were used to redo the regression analysis. The data for acetone in their Table 2 are incorrect.
192) Effective value that takes into account the hydration of the aldehyde:
H= ([RCHO]+[RCH(OH)2])/p(RCHO)
196) Calculated under the assumption that ∆G and ∆H are based on [mol/l] and [atm] as the standard states.

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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