| 摘要: |
| 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，可用于预测烷烃同分异构体的沸 |
| 关键词: 烷烃同分异构体，沸点，结构参数，Wiener指数 |
| DOI： |
| 分类号:O621.2 |
| 基金项目: |
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| Quantitative Relationship between Boiling Points and Molecular Structures of Alkane Isomers |
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| Abstract: |
| 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. |
| Key words: alkane isomers,boiling point,structural parameter,Wiener index, |
