用色谱法测定正辛醇/水分配系数
Measurements of the Octanol/Water Partition Coefficient by Chromatographic Methods.
作者信息
Wasik Stanley P, Tewari Yadu B, Miller Michele M, Purnell J H
机构信息
National Bureau of Standards, Washington, DC 20234.
Department of Chemistry, University College of Swansea, Swansea, Wales, U.K.
出版信息
J Res Natl Bur Stand (1977). 1982 Jul-Aug;87(4):311-315. doi: 10.6028/jres.087.020.
A theoretical relationship is developed to provide a quantitative definition of hydrophobicity using established theoretical and semi-empirical relationships. A method of predicting partition coefficients of relatively water-insoluble third components between water and an immiscible second component is devised and tested. Comparison with experimental data for four classes of compounds in the water/-octanol system at 25 °C shows excellent agreement, indicating that values for substances for which direct determination is experimentally precluded can be calculated with confidence.
利用已有的理论和半经验关系，建立了一种理论关系，以提供疏水性的定量定义。设计并测试了一种预测相对水不溶性第三组分在水和不混溶的第二组分之间分配系数的方法。与25℃下水/正辛醇体系中四类化合物的实验数据进行比较，结果显示出极佳的一致性，这表明对于那些因实验条件限制而无法直接测定的物质的值，可以放心地进行计算。
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