RELATION BETWEEN VANDERWAALS AND PARTIAL MOLAL VOLUMES OF ORGANIC-MOLECULES IN WATER
RELATION BETWEEN VANDERWAALS AND PARTIAL MOLAL VOLUMES OF ORGANIC-MOLECULES IN WATER
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DOI：
10.1139/v75-417
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发表时间：
1975-01-01
期刊：
影响因子：
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通讯作者：
FARRELL, PG
中科院分区：
文献类型：
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作者：
EDWARD, JT;FARRELL, PG
25 °C 时，非极性有机分子（即每个极性羟基、醚、胺、酰胺或脲基团具有超过 3 个脂肪族碳原子的分子）在水中的部分摩尔体积由其范德华体积 υw 加上由 0.53 Å 厚的封闭壳提供的额外空体积给出。一个方程涉及 υw 个以上的极性化合物（即每个极性基团具有少于两个或三个脂肪族碳原子的化合物），其具有小于通过该方程计算的值；计算得出的收缩率与极性基团占据的分子总表面积的分数线性相关。
The partial molal volumes of nonpolar organic molecules (i.e. those having more than three aliphatic carbon atoms per polar hydroxyl, ether, amine, amide, or urea group) in water at 25 °C are given by their van der Waals volumes υwplus the additional empty volume provided by an enclosing shell 0.53 Å thick. An equation relates to υwMore polar compounds (i.e. those having fewer than two or three aliphatic carbon atoms per polar group) have smaller than calculated by the equation; the shrinkage in from that computed is linearly related to the fraction of the total surface area of the molecule occupied by the polar group.