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本文采用图论方法对饱和烷烃第二维里系数B与分子结构的关系进行了探讨，结果发现烷烃第二维里系数与Wiener指数具有较好的相关性，并建立了它们之间的一个定量关系。对C2～C8共39个饱和烷烃B的计算表明，计算值与文献值的一致性是令人满意的。拓展了Wiener指数的应用领域，有助于深入理解第二维里系数的物理意义。
In this paper, the relationship between the second virial coefficient B of saturated alkanes and the molecular structure has been discussed by using the graph theory method. The results show that there is a good correlation between the second virial coefficient of alkanes and the Wiener index and a quantitative relationship. Calculation of a total of 39 saturated alkanes B from C2 to C8 shows that the calculated values are in agreement with the literature values. It expands the field of application of Wiener index and helps to understand the physical meaning of the second virial coefficient.