Simple correlations for calculating NHTPB enthalpy of formation through molecular structures

The purpose of this paper is to present simple correlation for calculating nitrated hydroxyl-terminated polybutadiene (NHTPB) enthalpy of formation.

It uses multiple linear regression methods.

The proposed correlation has determination coefficient 0.96. The correlation has root mean square deviation and the average absolute deviations values 53.4 and 46.1 respectively.

The predictive power of correlation is checked by cross-validation method (R²=0.96, $QLOO2=0.96$⁠).