Description of molecular structure and estimation of normal boiling point for alkanes by novel molecular distance connectivity vector

Based on the two basic characteristics,the distance between atoms and the connectivity among atoms,a new molecular distance connectivity vector of alkanes was proposed to describe the molecular structure of compounds. Quantitative structure property relationship on boiling point of 150 alkanes from one through ten carbon atoms was proposed by multiple linear regression method.The result showed that the new molecular distance connectivity vector had both excellent structural selectivity and property relativity. Besides, it was easy to calculate this new molecular distance connectivity vector.