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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 nitrogen (N)Heterocycles with nitrogen (C, H, N) → pyridine

FORMULA:C5H5N
CAS RN:110-86-1
STRUCTURE
(FROM NIST):
InChIKey:JUJWROOIHBZHMG-UHFFFAOYSA-N

Hscp d ln Hs cp / d (1/T) Reference Type Notes
[mol/(m3Pa)] [K]
1.1 6000 Bernauer and Dohnal (2009) M
4.6×10−2 -2300 Dewulf et al. (1999) M
5.5×10−1 Chaintreau et al. (1995) M
8.2×10−1 Hawthorne et al. (1985) M
1.1 Arnett and Chawla (1979) M 222)
7.1×10−1 Amoore and Buttery (1978) M
1.1 5900 Andon et al. (1954) M 129)
7.5×10−1 Hilal et al. (2008) Q
6000 Kühne et al. (2005) Q
1.8 Nirmalakhandan et al. (1997) Q
1.1 Mackay et al. (2006d) ?
5400 Kühne et al. (2005) ?
8.9×10−1 Yaws and Yang (1992) ? 92)
1.1 Abraham et al. (1990) ?
Staudinger and Roberts (2001) W 223)

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).
  • Amoore, J. E. & Buttery, R. G.: Partition coefficient and comparative olfactometry, Chem. Senses Flavour, 3, 57–71, doi:10.1093/CHEMSE/3.1.57 (1978).
  • Andon, R. J. L., Cox, J. D., & Herington, E. F. G.: Phase relationships in the pyridine series. Part V. The thermodynamic properties of dilute solutions of pyridine bases in water at 25  and 40 , J. Chem. Soc., pp. 3188–3196, doi:10.1039/JR9540003188 (1954).
  • Arnett, E. M. & Chawla, B.: Complete thermodynamic analysis of the hydration of thirteen pyridines and pyridinium ions. The special case of 2,6-di-tert-butylpyridine, J. Am. Chem. Soc., 101, 7141–7146, doi:10.1021/JA00518A001 (1979).
  • Bernauer, M. & Dohnal, V.: Temperature dependences of limiting activity coefficients and Henry’s law constants for N-methylpyrrolidone, pyridine, and piperidine in water, Fluid Phase Equilib., 282, 100–107, doi:10.1016/J.FLUID.2009.05.005 (2009).
  • Chaintreau, A., Grade, A., & Muñoz-Box, R.: Determination of partition coefficients and quantitation of headspace volatile compounds, Anal. Chem., 67, 3300–3304, doi:10.1021/AC00114A029 (1995).
  • Dewulf, J., van Langenhove, H., & Everaert, P.: Determination of Henry’s law coefficients by combination of the equilibrium partitioning in closed systems and solid-phase microextraction techniques, J. Chromatogr. A, 830, 353–363, doi:10.1016/S0021-9673(98)00877-2 (1999).
  • Hawthorne, S. B., Sievers, R. E., & Barkley, R. M.: Organic emissions from shale oil wastewaters and their implications for air quality, Environ. Sci. Technol., 19, 992–997, doi:10.1021/ES00140A018 (1985).
  • 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).
  • 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).
  • Mackay, D., Shiu, W. Y., Ma, K. C., & Lee, S. C.: Handbook of Physical-Chemical Properties and Environmental Fate for Organic Chemicals, vol. IV of Nitrogen and Sulfur Containing Compounds and Pesticides, CRC/Taylor & Francis Group (2006d).
  • 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).
  • Staudinger, J. & 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).
  • 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

92) Yaws and Yang (1992) give several references for the Henry's law constants but don't assign them to specific species.
129) Calculated using Gh and Hh from Table 2 in Andon et al. (1954). Note that the thermodynamic functions in that table are not based on their α in Table 1. Instead, the expression exp(−Gh/(RT)) yields the Henry's law constant Hsxp in the unit 1/atm.
222) Calculated using ∆Gsg→ H2O and ∆Hsg→ H2O from Table IV of Arnett and Chawla (1979). Since some of the values in this table are taken directly from Andon et al. (1954), it is assumed that the thermodynamic properties are defined in the same way. Since ∆Hsg→ H2O is defined relative to pyridine, a value of -11.93 kcal/mol from Arnett et al. (1977) was added.
223) Due to an apparently incorrect definition of the Henry's law constant by Andon et al. (1954), Staudinger and Roberts (2001) quote incorrect values from that paper.

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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