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Journal of Structural Chemistry

2017 year, number 4

PREDICTION OF CHANGES IN THE HEAT CAPACITY OF THE LIQUID-VAPOR PHASE TRANSITION BASED ON MODIFIED RANDIC INDICES. ALKANES AND OXYGEN-CONTAINING COMPOUNDS

E. L. Krasnykh, S. V. Portnova
Samara State Technical University, Samara, Russia
Keywords: теплоемкость, топологический индекс, индекс связности, алканы, кислородсодержащие соединения, heat capacity, topological index, connectivity index, alkanes, oxygen-containing compounds

Abstract

The work proposes a method to predict changes in the heat capacity of the liquid-vapor phase transition (298.2) based on modified Randič indices for alkanes and acyclic oxygen-containing compounds: alcohols, aldehydes, ketones, ethers, and esters. Based on the obtained (298.2) values heat capacities in the liquid phase (298.2) are calculated for the compounds under study.