PREDICTION OF ENTHALPIES OF VAPORIZATION BASED ON MODIFIED RANDIC INDICES. ESTERS
E. L. Krasnykh, S. V. Portnova
Samara State Technical University, Samara, Russia
Keywords: энтальпия испарения, топологический индекс, индекс связанности, сложные эфиры, прогнозирование, enthalpy of evaporation, topological index, connectivity index, esters, prediction
Abstract
In the work a prediction method based on modified Randic indices to estimate the enthalpies of vaporization under standard conditions Dvap H 0(298.2) is proposed for esters with different structures and numbers of ester groups. It is shown that the proposed method enables the prediction of enthalpies of vaporization of esters with an accuracy as good as experimental.
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