Study on Estimation Method of Enthalpy of Evaporation Based on Elements and Chemical Bonds

A new Group Contribution Method based on elements and chemical bonds was proposed to predict the enthalpy of evaporation organic compounds at their normal boiling points. prediction model built using 1266 experimental data points, accuracy estimations evaluated 16 The method has only 42 groups, a simple way group splitting, wide range predictions with an average relative error 5.84%. Furthermore, inclusion silicon in library enables effective silicon-containing 2.71%. By analyzing comparing other three commonly used methods, it can be concluded that provides accurate reliable estimation results more comprehensive application range.