用分子极化效应估计和预测卤代烃水溶解度

ESTIMATION OF AQUEOUS SOLUBILITY OF HALOGENATED HYDROCARBON USING THE MOLECULAR POLARIZABILITY EFFECT

用分子极化效应估计和预测卤代烃水溶解度＊康继军ａ曹晨忠ｂ＊＊李志良ａ（ａ湖南大学药物研究所长沙４１００８２；ｂ湘潭师范学院化学系湘潭４１１１００）关键词分子极化效应共轭体系有效连通面积水溶解度中图分类号Ｏ６２３．２有机物的水溶解度是一个用途广泛的参数...

おn this paper,the Overall Molecular Polarizability Effect Index and other parameters were used to calculate the aqueous solubilities for 75 halogenated hydrocarbons.It was discovered that there was a linear relationship between the Overall Molecular Polarizability Effect Index and other parameters and aqueous solubility for the halogenated hydrocarbon,and the relationship can be expressed as follows:I=a+bOMPEI+cΔMPEI+dSBL+eQSSwhere a,b,c,d and e are regression coefficients.The regression results shows that this expression is in good agreement with the change rule of the aqueoues solubility for the halogenated hydrocarbons.