| 卤代丙烷的沸点与分子结构的关联及预测 |
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| 引用本文： | 王克强,孙献忠.卤代丙烷的沸点与分子结构的关联及预测[J].首都师范大学学报(自然科学版),2000,21(4):52-56. |
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| 作者姓名： | 王克强 孙献忠 |
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| 作者单位： | 洛阳师范学院化学系 |
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| 摘 要： | 探讨了卤代丙烷沸点的变化规律，发展了一种直接根据分子结构信息计算和预测卤代丙烷沸点的方法，对53种卤代丙烷的计算结果表明，点算值与实验值的一致性令人满意，平均误差1．18％，本文方法的提出，不仅在一定程度上揭示了卤代丙烷沸点与分子结构之间的定量关系，而且为工程上提供了一种预测卤代丙烷沸点的有效方法。
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| 关 键 词： | 卤代丙烷 沸点 定量关系 分子结构 计算方法 沸点预测 关联 沸点变化规律 |
| 修稿时间： | 1999年10月19 |
Correlation of Boiling Points with Molecular Structure for Halogenated Propanes |
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| Wang Keqiang,Sun Xianzhong.Correlation of Boiling Points with Molecular Structure for Halogenated Propanes[J].Journal of Capital Normal University(Natural Science Edition),2000,21(4):52-56. |
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| Authors: | Wang Keqiang Sun Xianzhong |
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| Abstract: | A correlation was investigated between the boiling points and molecular structure of halogenated propanes,and a method which can be used to calculate and predict the boiling points of halogenated propanes was developed.The results showed that the calculated boiling points are in good agreement with the experimental data,and the mean relative deviation was 1\^18% for 53 halogenated propanes.The boiling points of 6 halogenated propanes were predicted for reference and testing in the future.Not only can the method be used to predict haloenated propance,but can help to understand the quantitative relation between boiling point and molecular structure of halogenated propanes as well. |
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| Keywords: | halogenated propane boiling point quantitative relation molecular structure calculating method |
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