SVRC model for predicting the liquid heat capacity of pure organic compounds

Method for predicting liquid heat capacity using molecular descriptors and QSPR models

This technology provides a method for predicting the liquid heat capacity of pure organic compounds by preparing molecular descriptor values and building a QSPR model based on SVRC equation parameters.

Measuring liquid heat capacity through experiments is costly and time-consuming, and it has been difficult to reliably predict the heat capacity of various organic compounds.

By predicting and verifying liquid heat capacity using a molecular descriptor-based QSPR model, this technology can be applied to the field of chemical property prediction to calculate heat capacity without the need for experiments.

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Key Features:

• Step 1: Inputting experimental data of collected sample organic compounds for liquid heat capacity prediction
• Step 2: Preparing molecular descriptor values for the liquid heat capacity of the sample compounds input in Step 1
• Steps 3 and 4: Determining the parameters required for the SVRC equation and building a QSPR model for parameters such as normal boiling point
• Step: Testing prediction performance with experimental data, adopting the predicted values if satisfactory, or repeating the model building process if unsatisfactory

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