| 多环芳烃正辛醇－水分配系数与分子连接性指数相关性研究 |
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| 引用本文： | 王西奎,徐广通,王筱梅,孟平蕊.多环芳烃正辛醇－水分配系数与分子连接性指数相关性研究[J].济南大学学报(自然科学版),1996(1). |
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| 作者姓名： | 王西奎 徐广通 王筱梅 孟平蕊 |
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| 作者单位： | 山东建材学院应用化学系 |
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| 摘 要： | 研究了多环芳烃正辛醇－水分配系数Ｋｏｕ与一阶价分子连接性指数＇Ｘｖ的相关性,首次提出了烃基校正因子（Ａ）的概念,建立了包含＇Ｘｖ和月两个参数的二元回归方程式。由该方程计算的各种取代和未取代多环芳烃正辛醇－水分配系数与文献测定值以及分子碎片常数法计算值十分吻合。
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| 关 键 词： | 多环芳烃 正辛醇－水分配系数 分子连接性指数 烃基校正因子 |
STUDY ON CORRELXTION OF N-OCTANOL-WATER PARTITION COEFFICIENT AND MOLECULAR CONNECTIVITY INDEX FOR POLYCYCLIC AROMATIC HYDROCARBONS |
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| Wang Xikui, Xu Guangtong ,Wang Xiaomei, Meng Pingrui.STUDY ON CORRELXTION OF N-OCTANOL-WATER PARTITION COEFFICIENT AND MOLECULAR CONNECTIVITY INDEX FOR POLYCYCLIC AROMATIC HYDROCARBONS[J].Journal of Jinan University(Science & Technology),1996(1). |
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| Authors: | Wang Xikui Xu Guangtong Wang Xiaomei Meng Pingrui |
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| Abstract: | The correlation of n-octanol-water partition coefficient Kou and valence one ordermolecular connectivity index XV of polycyelic aromatic hydrocarbons (PAH,) was studied. Aalkyl correcting factor "A" was defined and used to establish a two variable regression equationwhich involved ' Yv and A. log Kou of 4 0 PAH. and alkyl substituted PAH. were calculated with thetwo-variable regression equation and found to be very closed to those calculated according toLed's method and those reported in literature. |
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| Keywords: | polycyclic aromatic hydrocarbons n-Octanol-water partition coefficient one order molecular conneetivity index alkyl correcting factor |
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