| 炔烃沸点的定量探讨 |
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| 引用本文： | 舒元梯.炔烃沸点的定量探讨[J].西南民族学院学报(自然科学版),1999,25(4):382-385. |
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| 作者姓名： | 舒元梯 |
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| 作者单位： | 乐山师范高等专科学校化学系!四川乐山614000 |
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| 摘 要： | 路径数ｐ１和拓朴指数Ｘｚ，Ｓ１，Ｓ２是表征脂肪炔烃分子大小、支化度、形状和叁键位置等结构特征的重要参量．本文提出计算脂肪炔烃沸点Ｔ（Ｋ）的定量公式为：Ｔ＝ ａ０＋ ａ１ｐ１＋ ａ２Ｘ_ｚ~２／３＋ａ３Ｓ１＋ ａ４Ｓ２式中ａ０，ａ１，ａ２，ａ３和ａ４为系数，分别为２２４．４６４１，５．８９７７，３０．２９７９，－６８．００３４，－１１．０７４５．应用该式预测了含１４个碳原子以内的脂肪炔炬的沸点．
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| 关 键 词： | 拓扑指数 路径数 分子连接性与分子结构性质 炔烃 沸点 |
Quantitative Inquisition of Boiling Points of Alkynes |
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| SHU Yuan-ti.Quantitative Inquisition of Boiling Points of Alkynes[J].Journal of Southwest Nationalities College(Natural Science Edition),1999,25(4):382-385. |
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| Authors: | SHU Yuan-ti |
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| Abstract: | Number of path p1, the topological indexes Xz,S1 and S2can be used to characterize the size, branching and share of alkynes,and site of threefold bond in alkyne. With this, a quatitative formula for calculating the boiling points of alkynes is obtained, i. e. T = a0 a1p1 a_2x_z2/3 a3S1 a4S2 It is demonstrated that the method possesses the advantage of easy computation and clear structural significance. The results are also satisfactory. |
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| Keywords: | topological index number of paths molecular connectivity and structure properties alkyne boiling points |
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