Heat of Vaporization
Heat of vaporization is the calorie required to evaporate 1 mole of liquid to gas at a particular temperature.
Property values are estimated by the combination of fundamental thermodynamic theories, modern modeling approaches, e.g., SVRC (Scaled Variable Reduced Coordinates), QSPR (quantitative structure-property relationships) methods, and ANN (Artificial Neural Network) with over fitting prevention algorithm, utilizing the quantum chemical calculations results and molecular descriptors. The estimated value is finally determined after manual inspection.
Forecasting the property value using other property values and formulas. (Thermodynamics of the liquid state, Ind. Eng. Chem., 1943. 35. 398)
※ The values by the previously known Prediction method is obtained by using constant property values forecasted from MolInstincts as calculation factors.
Examples for each Comment
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