| 不饱和链烃的沸点与分子结构之间定量关系的研究 |
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| 引用本文： | 王克强,王捷.不饱和链烃的沸点与分子结构之间定量关系的研究[J].商丘师范学院学报,2002,18(5):88-91. |
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| 作者姓名： | 王克强 王捷 |
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| 作者单位： | 1. 洛阳师范学院,化学系,河南,洛阳,471022
2. 许昌职业技术学院,河南,许昌,461000 |
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| 摘 要： | 根据分子中基团的特性和连接性，通过用距离矩阵和顶点矩阵表征基团的特性和连接性，发展了一种直接根据分子结构计算不饱和烃（包括烯烃、炔烃和烯炔混合烃）沸点的方法，对378种不饱和烃（C2－C40）的计算结果表明，沸点计算与实验值的一致性令人满意。
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| 关 键 词： | 不饱和链烃 沸点 分子结构 定量关系 结构性能关系 拓扑指数 距离矩阵 顶点矩阵 |
| 文章编号： | 1008-2662(2002)05-0088-04 |
| 修稿时间： | 2001年9月10日 |
Studies on the quantitative relation between boiling point of aliphatic unsaturated hydrocarbons and molecular structure |
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| WANG Ke-qiang,WANG Jie.Studies on the quantitative relation between boiling point of aliphatic unsaturated hydrocarbons and molecular structure[J].Journal of Shangqiu Teachers College,2002,18(5):88-91. |
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| Authors: | WANG Ke-qiang WANG Jie |
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| Abstract: | Based on characteristics of molecular structure, the distance matrix and vertical matrix were used to characterize the connectivity of the groups in aliphatic unsaturated hydrocarbons, and a method was proposed to calculate the boiling points of. The calculated results showed that the calculated boiling points were in good a-greement with the experimental data, the mean relative deviation was 1.30% for 378 aliphatic unsaturated hydrocarbons. |
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| Keywords: | structure-property relationship topological index boiling points aliphatic unsaturated hydrocarbon |
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