Calculating the molar volume of monoolefins and diolefins using the quantitative structure property relationship
Run Ming Feng · 2000
Based on characteristics and connectivity of the groups in molecules,a method which combined the group contribution method and topological method together was developed,and can be used to calculate the molar volume of monoolefins and diolefins from molecular structure.The calculated results show that the calculated molar volume of a monoolefins and diolefins were in good agreement with the experimental data,and the mean relative deviation was 0.52% for 218 monoolefins and diolefins,and had advantages over the group contribution method.