芳香族醛酮化合物溶解度和分配系数的测定与估算
DETERMINATION AND ESTIMATION OF WATER SOLUBILITY AND n-OCTANOL/WATER PARTITION COEFFICIENT FOR SUBSTITUTED AROMATIC KETONE AND ALDEHYDE
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摘要: 本文测定了15种芳香族醛酮化合物的溶解度和正辛醇-水分配系数.研究了水溶解度及分配系数与分子连接性指数的相关性,结果表明,溶解度和分配系数之间以及与分子连接性指数呈较好的线性关系.
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关键词:
- 溶解度 /
- 分配系数 /
- QSAR /
- 分子连接性指数(MCIs)
Abstract: Shake-flask method was used to determine water solubility (Sw)and n-octanol/water partition coefficient (Kow)for 15 substituted aromatic ketone and aldehyde. The result showed that the n-octanol/water partition coefficients were correlated with water solubility. Molecular connectivity indices (MCIs)method has been used to established correlation equations. The estimated value were well fitted with observed.-
Key words:
- QSAR /
- wter solubility /
- n-octanol/water partition coefficient /
- MCIs
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