SVRC Model Predicting Thermal Conductivity of Gas of Pure Organic Compound

摘要

PURPOSE: An SVRC model for predicting thermal conductivity of gas of pure organic compounds is provided to accurately predict the thermal conductivity only using concrete value of molecular descriptors. CONSTITUTION: A molecular descriptor value for thermal conductivity of gas of sample compounds is prepared. A parameter for SVRC(scaled variable reduced coordinate) is calculated. A QSPR model for the thermal conductivity of gas at normal boiling point and parameter boiling point is constructed. The test data predicts the performance.