PREDICTING PHYSICOCHEMICAL PROPERTIES FOR ALKANES WITH NUMBERS OF PATH

Numbers of path 1, 2, 3 (P-1, P-2, P-3) can be used to characterize th e size, branching and shape of alkanes. According to this, we take P-1 , P-2, P-3(and P-4 in some cases) as separate parameters to predict fi ve physicochemical properties (heat of atomization, heat of formation, heat of vaporation, molar volume, and molar refraction) for alkanes. It has been demonstrated that the method possesses the advantage of ea sy computation and clear structural significance. The results are also satisfactory.