PREDICITION OF VAPORIZATION ENTHALPY BASED ON MODIFIED RANDIДЊ INDICES. ALKANES
Е. L. Krasnykh
Keywords: enthalpy of vaporization, topological index, binding index, alkanes, QSPR
Pages: 1026-1033
Abstract
Methods to calculate the enthalpy of vaporization of alkanes under normal conditions are considered using the classic Randič method and its modifications. The calculation based on modified methods is shown to be capable of predicting the vaporization enthalpy of alkanes with an error comparable with that of experimental measurements.
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