Thermochemistry of Organic Nitro Compounds and Strength of Bonds in Nitro Alkanes

The linear equation ΔcHo = i ± f (N - g), in which i and f are the factors of correlation, describing
interdependence between then heat of combustion organic compounds and their number (N) valence
electrons except for a number of lone electron pairs (g) heteroatoms in them, it has been applied
besides to the most thermochemical parameter for mono-, di- and trinitroalkanes, arenes and
alkylated nitramines. It has appeared, that the given equation also is good applicable to calculation of
the heats of formation, vaporization and atomization of nitro compounds in condensed and gas
phases. Twenty six similar equations for calculation of thermochemical characteristics of substances
with NO2 groups have been deduced on the basis of the analysis known in literary thermochemical
parameters for 53 organic nitro compounds. The estimation of value coefficients f in these equations
for calculation of the heats of combustion, formation in condensed and gaseous phases, vaporization,
sublimation and atomization mononitro alkanes, various nitramines, dinitro alkanes and arenes, trinitro
alkanes and arenes is made. The magnitudes of the strength for C-H, C-C, C-N, N-O bonds were
calculated for gaseous nitro alkanes with the use of computer program Microsoft-Excel-function
«Search of the decision by a method of the interfaced gradients» in a first time.