Prediction of changes in the heat capacity of the liquid–vapor phase transition based on modified Randič indices. Alkanes and oxygen-containing compounds

Resumo

The work proposes a method to predict changes in the heat capacity of the liquid—vapor phase transition Δ_l^gСр⁰ (298.2) based on modified Randič indices for alkanes and acyclic oxygen-containing compounds: alcohols, aldehydes, ketones, ethers, and esters. Based on the obtained Δ_l^gСр⁰ (298.2) values heat capacities in the liquid phase Cp_liq⁰ (298.2) are calculated for the compounds under study.