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Approximation of any physicochemical constants of homologues with the use of recurrect functions

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Abstract

Dependencies of various physicochemical constants of organic compounds (A) versus number of carbon atoms in the molecule within different homologous series [A = f(n C )] usually are non-linear. The simplest recurrent equation A(n + 1) = a A(n) + b, connecting A-values for homologues (n + 1 carbon atoms) with the values of the same constants for previous members of series (n carbon atoms), indicates practically “ideal” linear character for most properties of organic compounds. It is the reasonable basis for approximation (or extrapolation) any physicochemical constants within any homologous series using the standard approach without special selection of appropriate algebraic functions. Principal mathematical properties of the function A(n + 1) = aA(n) + b and some of its chemical applications are considered.

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Authors and Affiliations

  1. Department of Gas Chromatographic Laboratory, Chemical Research Institute, St. Petersburg State University, Universitetsky pr., 26, 198504, St. Petersburg, Russia

    Igor G. Zenkevich

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  1. Igor G. Zenkevich
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Correspondence to Igor G. Zenkevich.

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Zenkevich, I.G. Approximation of any physicochemical constants of homologues with the use of recurrect functions. J Math Chem 46, 913–933 (2009). https://doi.org/10.1007/s10910-009-9559-8

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  • DOI: https://doi.org/10.1007/s10910-009-9559-8

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