众多计算正烷烃(直链饱和烃)沸点的经验公式中,大概要数公式(1)最为令人满意了:(1)它的确适用范围宽且又精确度高,这可从文献[1]所列表中清楚地看出,N 即使取到100,计算值与实测值仍相当符合,然而,美中不足的是该式对带支链的饱和烃却不能适用。有人发表了含拓扑指数的公式(2): Many of the empirical formulas for calculating the boiling point of n-alkanes (straight chain saturated hydrocarbons) are probably the most satisfying equation (1): (1) it has a wide range of applications and high accuracy, It is clear from the table that even if N is taken as 100, the calculated value is in good agreement with the measured value, however, the only drawback is that this formula does not apply to branched saturated hydrocarbons. Someone published a formula (2) with a topological index: