M. S. Kharasch and B. Sher, “The Electronic Conception of Valence and Heats of Combustion of Organic Compounds,” Journal Physical Chemistry, Vol. 29, No. 6, January 1925, pp. 625-658. HTUdoi:10.1021/j150252a001UT

has been cited by the following article:

• TITLE: Thermochemistry of Heteroatomic Compounds:Calculation of the heat of Combustion and the heat ofFormation of some Bioorganic Molecules with DifferentHydrophenanthrene Rows

  AUTHORS: Vitaly V. Ovchinnikov

  KEYWORDS: Alkanes, Biochemical Molecules, the Heat of Combustion, Heat of Formation, Heat of Vaporization, Topological Solvation Index

  JOURNAL NAME: Open Journal of Physical Chemistry, Vol.1 No.1, May 19, 2011

  ABSTRACT: On the basis of the known experimental heats of combustions of the seventeen alkanes in condensed state, the general equation has been deduced, in which i and f are correlation coefficients, N and g are a numbers of valence electrons and lone electron pairs of heteroatoms in molecule. The presented dependence has been used for the calculation of the heats of combustion of thirteen organic molecules with biochemical properties: holestan, cholesterol, methyl-cholesterol, ergosterol, vitamin-D2, estradiol, androstenone, testosterone, androstanedione, morphine, morphinanone, codeine and pentasozine. It is noted that good convergence was obtained within the limits of errors of thermochemical experiments known in the literature and calculations of the heats of combustion for some of them were conducted. With the application of Hess law and the heats of vaporization , which has been calculated with the use of a topological solvation index of the first order , the heats of formation for condensed and gaseous phases were calculated for the listed bioorganic molecules.