脂肪醇结构参数与沸点和溶解度的相关性研究

Correlations between the Structural Parameters and the Boiling Points and Solubilities of Aliphatic Alcohols

以脂肪醇为研究对象 ,选取 3种结构参数Q1、Q2 、Q3,其中Q1为C原子数 ,Q2 为醇羟基位置数的倒数 ,Q3为 1减去各取代基位置数的倒数和 .用Q1、Q2 、Q3与脂肪醇沸点、溶解度关联 ,拟合成 2个回归方程 ,其相关系数分别为 0 .995 7和 0 .9818.由回归方程结果表明 :C原子数对脂肪醇沸点、溶解度的影响最大 ,官能团位置的影响次之 ,取代其位置影响最小 ,脂肪醇结构特点就能得到很好的表征 .本方法计算简单 。

Three structural parameters -Q 1 ,Q 2 ,Q 3 -of the aliphatic alcohols are chosen as the objects of study.Q 1 denotes the number of C atoms,Q 2 the reciprocal of the member of hydroxyl position ,and Q 3 represents 1 minus the sum of the reciprocals of the number of substictuent positions.Relating Q 1 ,Q 2 ,Q 3 to the boiling points and solubilities of aliphatic alcohols,and matching the relations in two regression equations,we have two correlation coefficients of 0.995 7 and 0.981 8.The results of the regression equations reveal that the C atom is the most affectable to the boiling points and the solubilities,the position of the functional group is the second,and the position of the substituent the least,and so we can have very satisfactory characterizations of the structures.This method is easy to do,and the predicted values tally with the tested.