烷烃同分异构体的沸点与分子结构的定量关系

Quantitative Relationship between Boiling Points and Molecular Structures of Alkane Isomers

以碳原子数Ｎ和Ｗｉｅｎｅｒ指数Ｗ，Ｐ为结构参数，建立了烷烃同分异构体的沸点与其分子结构间的定量关系式，用此式计算了７６个支链烷烃的沸点。结果表明，该式适用范围广泛，计算结果较准确。

This paper,using the number N of carbon atoms and Wiener index W,P as structural parameters,established a quantitative relationship formula between boiling points and its molecular structure of alkane isomers.The boiling points of 76 branched chain alkanes were calculated.The results clearly showed that application of this formula is of very wide range with more accurate of its calculated results.The formula can be used to forecast the boiling points of alkane isomers.