Modeling Adiabatic Compressibility of Some Organic Liquids with Halogen Using Physico-chemical and Topological Descriptors

Abstract

The adiabatic compressibility of 15 organic halo-derivatives comprising of aliphatic and aromatic liquids have been modelled using physico-chemical parameters and topological descriptors. It has been found that the property of liquid is possible to be modelled theoretically. But physic-chemical parameters (MV,MW, ST, IR) alone are unable to do so. The topological parameters viz Wiener index and connectivity indices when added with physicochemical parameters gave excellent results. The value of regression coefficient in three-parametric model with W, and connectivity indices comes out to be 0.9434 which suggests that the model is excellent. The model is free from the defect of collinearity.  The model has been tested using LOO (Cross Validated parameters) method