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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 Constants → Organic species with nitrogen (N) → Nitro compounds (RNO2) → nitromethane

FORMULA:CH3NO2
CAS RN:75-52-5
STRUCTURE
(FROM NIST):
InChIKey:LYGJENNIWJXYER-UHFFFAOYSA-N

Hcp d ln Hcp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
3.4×10−1 4000 Sander et al. 2011 L
3.4×10−1 4000 Sander et al. 2006 L
3.5×10−1 4000 Benes and Dohnal 1999 M
3.6×10−1 Park et al. 1987 M
4.5×10−1 Rohrschneider 1973 M
3.5×10−1 Gaffney and Senum 1984 X 153)
3.4×10−1 Hilal et al. 2008 Q
3700 Kühne et al. 2005 Q
7.3×10−2 Nirmalakhandan et al. 1997 Q
3500 Kühne et al. 2005 ?
3.4×10−2 Yaws 1999 ?
3.6×10−2 Yaws and Yang 1992 ? 92)
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.
  • Benes, M. and Dohnal, V.: Limiting activity coefficients of some aromatic and aliphatic nitro compounds in water, J. Chem. Eng. Data, 44, 1097-1102, doi:10.1021/JE9900326, 1999.
  • 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.
  • 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.
  • 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.
  • Park, J. H., Hussam, A., Couasnon, P., Fritz, D., and Carr, P. W.: Experimental reexamination of selected partition coefficients from Rohrschneider's data set, Anal. Chem., 59, 1970-1976, doi:10.1021/AC00142A016, 1987.
  • Rohrschneider, L.: Solvent characterization by gas-liquid partition coefficients of selected solutes, Anal. Chem., 45, 1241-1247, doi:10.1021/AC60329A023, 1973.
  • 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.
  • Yaws, C. L., ed.: Chemical Properties Handbook, McGraw-Hill, Inc., 1999.
  • 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

92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
153) Value given here as quoted by Gaffney et al. (1987).

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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