Prediction of boiling points of organic compounds by QSPR tools

Novel electro-negativity topological descriptors of  YC, WC were proposed to be characterized the structure and the composition of heteroatom-containing and multiple bond organic compounds by the equilibrium electro-negativity and the relative bond length of molecules. The quantitative structure-property relationships (QSPR) between descriptors of YC, WC and path number parameter P3 and the normal boiling points of organic compounds were obtained separately.