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本文研究了支链烷烃的分子拓扑结构，由结构图计算了分子的一阶连通性指数。将其沸点与拓扑指数相关联，得到计算支链烷经沸点的公式：Ｔｂ（℃）＝ａＸ１／２＋ｂＮ１／４＋ｃ，式中Ｘ，Ｎ分别是分子的一阶连通性指数和碳原子数，ａ，ｂ，ｃ为常数，经计算机回归处理得到各常数值，相关系数０．９９８５，对８５个分子的沸点重新计算，平均误差３．０（℃）。
In this paper, we study the molecular topology of branched-chain alkanes and calculate the first-order connectivity index of the molecules from the structure diagram. The boiling point of which is related to the topological index, and the formula for calculating the boiling point of the branched alkane is obtained: Tb (° C) = aX1 / 2 + bN1 / 4 + c where X and N are the first-order connectivity index and the number of carbon atoms, respectively, a , B and c are constants, and the values of each constant are obtained by computer regression. The correlation coefficient is 0.9985. The boiling points of 85 molecules are recalculated with an average error of 3.0 (℃).