Abstract
A method for establishing relationships between various physicochemical properties of organic substances is developed. The method is based on the concept of linear deviations of physicochemical parameters calculated by additive techniques from experimentally determined values for some broad groups covering various classes of organic substances. The deviations from linearity are analyzed for the example of thermodynamic potentials of 1055 organic substances.
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Perez, P., Parra-Mouchet, J., and Contreras, R.R., J. Chil. Chem. Soc., 2004, vol. 49, no. 1, pp. 30–56.
Eshermann, B., Martin, B., Horn, A.H.C., and Clark, T., J. Mol. Model., 2003, vol. 9, pp. 342–347.
Hammett, L.R., Physical Organic Chemistry. Reaction, Rates, Equilibria and Mechanisms, Second Edition, New York: McGraw-Hill, 1970.
Pal’m, V.A., Osnovy kolichestvennoi teorii khimicheskikh reaktsii (Fundamentals of the Quantitative Theory of Chemical Reactions), Leningrad: Khimiya, 1977.
Cherkasov, A.R., Galkin, V.I., and Cherkasov, R.A., Usp. Khim., 1996, vol. 65, no. 8, pp. 695–711.
Cherkasov, A.R., Ionsson, M., Galkin, V.I., and Cherkasov, R.A., Usp. Khim., 2001, vol. 70, no. 1, pp. 3–27.
Tupitsyn, I.F., Zh. Obshch. Khim., 2004, vol. 74, no. 1, pp. 25–38.
Tupitsyn, I.F., Zh. Obshch. Khim., 2004, vol. 74, no. 2, pp. 202–213.
Tupitsyn, I.F., Zh. Obshch. Khim., 2004, vol. 74, no. 7, pp. 1105–1118.
Trushkov, L.E., Chuvylkin, N.D., Koz’min, A.S., and Zefirov, N.S., Russ. Chem. Bull., 1995, vol. 44, no. 5, pp. 777–800.
Egorochkin, A.N., Voronkov, M.G., Zderenova, O.V., and Skobeleva, S.E., Izv. Akad. Nauk, Ser. Khim., 2000, vol. 1, pp. 253–260.
Egorochkin, A.N., Voronkov, M.G., Zderenova, O.V., and Skobeleva, S.E., Izv. Akad. Nauk, Ser. Khim., 2001, no. 1, pp. 41–47.
Egorochkin, A.N., Voronkov, M.G., Skobeleva, S.E., and Zderenova, O.V., Izv. Akad. Nauk, Ser. Khim., 2001, no. 1, pp. 34–40.
Amend, J.P. and Hegelson, H.C., Geochim. Cosmochim. Acta, 1997, vol. 61, no. 1, pp. 11–46.
Ladbury, J.E. and Chowdhry, B.Z., Chem. Biol., 1996, vol. 3, no. 10, pp. 791–801.
Hinz, H.J. and Schwarz, F.P., Pure Appl. Chem., 2001, vol. 73, no. 4, pp. 745–759.
Eads, C.D., J. Phys. Chem., Ser. B, 1999, vol. 103, no. 28, pp. 5869–5880.
Horak, J., Chem. Listy, 1999, vol. 93, no. 10, pp. 616–622.
Smith, D.W., J. Chem. Soc., Faraday Trans., 1998, vol. 94, pp. 3087–3901.
Mutelet, F. and Rogalski, M., Phys. Chem. Chem. Phys., 2001, vol. 3, pp. 432–436.
Scalabrin, G., Grigiante, M., Cristofoli, G., and Piazza, L., Int. J. Refrigeration, 2003, vol. 26, no. 1, pp. 35–50.
Chouai, A., Laugier, S., and Richon, D., Fluid Phase Equilibr., 2002, vol. 199, nos. 1–2, pp. 53–62
Zevatskii, Yu.E. and Lysova, S.S., Zh. Prikl. Khim., 2006, vol. 79, no. 6, pp. 978–985.
de Visser, S.P., Phys. Chem. Chem. Phys., 1999, vol. 1, pp. 749–753.
Standard Thermodynamic Properties of Chemical Substances, http://www.update.uu.se/:_jolkkonen/pdf/CRC_TD.pdf.
Cox, J.D., Wagman, D.D., and Medvedev, V.A., CODATA Key Values for Thermodynamics, New York: Hemisphere, 1989. p. 1.
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Original Russian Text © Yu.E. Zevatskii, D.V. Samoilov, 2007, published in Zhurnal Prikladnoi Khimii, 2007, Vol. 80, No. 2, pp. 230–235.
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Zevatskii, Y.E., Samoilov, D.V. Empirical method for calculation of thermodynamic potentials of organic substances. Russ J Appl Chem 80, 230–235 (2007). https://doi.org/10.1134/S1070427207020127
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DOI: https://doi.org/10.1134/S1070427207020127