摘要
本文根据分子结构的特点，用图论方法探讨了直链１─烯的熔点与其分子结构之间的关系，提出了一个具有一定结构基础的定量关系、计算结果表明，熔点计算值十分接近实验值，平均误差±０．４５％。应用本文定量关系，不仅能够预测直链１─烯烃的的熔点，而且有助于揭示物质结构性能之间的关系。
An approach based on the graph theory is used to study the relationship between the melting point of normal alk-1-ene and its molecular structure,and a quantitative relation is developed which can be to predict the melting points of normal alk-1-enes Where a,b,c,λ1 and λ2 are constants. N and P3 are topological indexes defined in this paper. The results calculated show that the predicted values agree with the experimental values satisfactorily,and the average relative deviation is ±0.150% for 39 kinds of normal alk-1-enes.
