摩尔体积预测有机物水的溶解度和辛醇/水分配系数

环境化学

摩尔体积预测有机物水的溶解度和辛醇/水分配系数

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王连生, 赵元慧, 高鸿. 摩尔体积预测有机物水的溶解度和辛醇/水分配系数[J]. 环境化学, 1992, 11(1): 55-70.

引用本文:

王连生, 赵元慧, 高鸿. 摩尔体积预测有机物水的溶解度和辛醇/水分配系数[J]. 环境化学, 1992, 11(1): 55-70.

Wang Liansheng, Zhao Yuanhui, Gao hong. PEEDICTING AQUEOUS SOLUBILITY AND OCTANOL/ WATER PARTITION COEFFICIENTS OF ORGANIC CHEMICALS FROM MOLAR VOLUME[J]. Environmental Chemistry, 1992, 11(1): 55-70.

Citation:

Wang Liansheng, Zhao Yuanhui, Gao hong. PEEDICTING AQUEOUS SOLUBILITY AND OCTANOL/ WATER PARTITION COEFFICIENTS OF ORGANIC CHEMICALS FROM MOLAR VOLUME[J]. Environmental Chemistry, 1992, 11(1): 55-70.

摩尔体积预测有机物水的溶解度和辛醇/水分配系数

1.
南京大学环境科学系, 南京, 210008;
2.
南京大学化学系, 南京, 210008

PEEDICTING AQUEOUS SOLUBILITY AND OCTANOL/ WATER PARTITION COEFFICIENTS OF ORGANIC CHEMICALS FROM MOLAR VOLUME

1.
Department of Environmental Science, Nanjing University, Nanjing, 210008;
2.
Department of Chemistry, Nanjing University

摘要: 本文回归分析了20种317个固液化合物的摩尔体积和溶解度以及辛醇/水分配系数的相关性,结果表明:溶解度及辛醇/水分配系数和摩尔体积呈良好的线性相关,讨论了回归系数,并用摩尔体积估算了一些有机物的溶解度和辛醇/水分配系数,并和其它估算方法进行了比较。
- 溶解度 /
- 辛醇/水分配系数 /
- 摩尔体积
Abstract: Correlation equations relating aqueous solubility and octanol/ water coefficients to molar volume were derived by regression analysis for 20 chemical classes which included 317 organic chemicals. Good correlation was found between aqueous solubility, octanol/water partition coefficients with molar volumes. Correlation coefficients were discussed. Aqueous solubility and octanol/water partition coefficients were estimated with molar volume and compared with the values from other estimation methods.
- solubility /
- octanol/water partition coefficient /
- molar volume

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王连生, 赵元慧, 高鸿. 摩尔体积预测有机物水的溶解度和辛醇/水分配系数[J]. 环境化学, 1992, 11(1): 55-70.

引用本文:

王连生, 赵元慧, 高鸿. 摩尔体积预测有机物水的溶解度和辛醇/水分配系数[J]. 环境化学, 1992, 11(1): 55-70.

Wang Liansheng, Zhao Yuanhui, Gao hong. PEEDICTING AQUEOUS SOLUBILITY AND OCTANOL/ WATER PARTITION COEFFICIENTS OF ORGANIC CHEMICALS FROM MOLAR VOLUME[J]. Environmental Chemistry, 1992, 11(1): 55-70.

Citation:

Wang Liansheng, Zhao Yuanhui, Gao hong. PEEDICTING AQUEOUS SOLUBILITY AND OCTANOL/ WATER PARTITION COEFFICIENTS OF ORGANIC CHEMICALS FROM MOLAR VOLUME[J]. Environmental Chemistry, 1992, 11(1): 55-70.

摩尔体积预测有机物水的溶解度和辛醇/水分配系数

1. 南京大学环境科学系, 南京, 210008;
2. 南京大学化学系, 南京, 210008

收稿日期: 1990-10-24

关键词:

摘要: 本文回归分析了20种317个固液化合物的摩尔体积和溶解度以及辛醇/水分配系数的相关性,结果表明:溶解度及辛醇/水分配系数和摩尔体积呈良好的线性相关,讨论了回归系数,并用摩尔体积估算了一些有机物的溶解度和辛醇/水分配系数,并和其它估算方法进行了比较。

English Abstract

PEEDICTING AQUEOUS SOLUBILITY AND OCTANOL/ WATER PARTITION COEFFICIENTS OF ORGANIC CHEMICALS FROM MOLAR VOLUME

1. Department of Environmental Science, Nanjing University, Nanjing, 210008;
2. Department of Chemistry, Nanjing University

Received Date: 1990-10-24

Keywords:

Abstract: Correlation equations relating aqueous solubility and octanol/ water coefficients to molar volume were derived by regression analysis for 20 chemical classes which included 317 organic chemicals. Good correlation was found between aqueous solubility, octanol/water partition coefficients with molar volumes. Correlation coefficients were discussed. Aqueous solubility and octanol/water partition coefficients were estimated with molar volume and compared with the values from other estimation methods.

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