| 链烷烃标准熵定量构效关系的研究 |
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| 引用本文： | 黄长友.链烷烃标准熵定量构效关系的研究[J].山东理工大学学报,2007,21(4):85-88. |
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| 作者姓名： | 黄长友 |
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| 作者单位： | 青岛科技大学化学与分子工程学院 山东青岛266042 |
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| 摘 要： | 基于核磁共振现象定义了一个新的拓扑指数1R,研究了链烷烃的标准熵与1R及碳原子得到数N的相关性.对比发现,157个链烷烃标准熵的计算值与实验值非常吻合,分析得到的方程可用于链烷烃标准熵的估算与预测.
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| 关 键 词： | 核磁共振 标准熵 烷烃 |
| 文章编号： | 1672-6197（2007）04-0085-04 |
| 修稿时间： | 2006-01-11 |
Quantitative structure-property relationship of standard entropy of alkanes |
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| HUANG Chang-you.Quantitative structure-property relationship of standard entropy of alkanes[J].Journal of Shandong University of Technology:Science and Technology,2007,21(4):85-88. |
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| Authors: | HUANG Chang-you |
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| Institution: | College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042, China |
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| Abstract: | 1R,a new topological index based on nuclear magnetic resonance phenomenon,is defined in this paper.N means the number of carbon atom of alkane.It is discovered that the standard entropy of alkane correlates with 1R and N.So a equation is obtained.For the standard entropies of 157 alkanes,the calculated values are in excellent agreement with the experimental values.Therefore the standard entropy of alkane will be estimated and predicted by the equation. |
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| Keywords: | nuclear magnetic resonance standard entropy alkane |
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