摘要
实验测定了S-噻吗洛尔-D-酒石酸非对映体盐(S-TTS)在乙醇、正丙醇、丙酮、1,2-二氯乙烷和乙酸乙酯中的溶解度。在相同温度下,S-TTS在这些溶剂中的溶解度(s)顺序是:s(乙醇)>s(正丙醇)>s(丙酮)>s(1,2-二氯乙烷)>s(乙酸乙酯)。用四参数多项式、Apelblat方程、改进的Apelblat方程和λH方程关联了溶解度实验数据,以四参数多项式关联实验数据的结果最好,其相关系数(R2)>0.99,平均绝对相对偏差(AARD)(%)<4。提出了1,2,5-硫氮二茂基团、含手性碳次甲基基团(*CH)等新的基团相互作用参数,并用UNIFAC法预测了S-TTS在这5种溶剂中的溶解度,所得结果的平均绝对相对偏差(%)<53,并与用.H方程等的结果作了比较。
The determinations of the solubility of S-Timolol-D-Tartrate diasteromeric salt（S-TTS） in five solvents,ethanol,n-propanol,acetone,1,2-dichloroethane and ethyl acetate,at five temperatures were performed respectively.The results indicate that,according to the dissolved magnitude,the obtained solubility order of S-TTS in above five solvents is 〉s（ethanol） 〉s（n-propanol） 〉s（acetone） 〉s（1,2-dichloroethanes（ethyl acetate）.The obtained experimental data were respectively fitted with four empirical equations,such as polynomial equation,Apelblat equation,modified Apelblat equation and ？H equation,and good correlation coefficients（R^2〉0.99） with the smallest average absolute relative derivation（AARD）,AARD 4%,were obtained by using the polynomial equation.In this paper,several new group interaction parameters were proposed,and based on them,the UNIFAC model can be used to predict the solubility of S-TTS in above five solvents.The results show that,using the UNIFAC model,the AARDs of the solubility predictions for S-TTS are 〈53%,and they are smaller than the AARDs of the perditions obtained by using the ？H equation.
出处
《高校化学工程学报》
EI
CAS
CSCD
北大核心
2012年第1期7-12,共6页
Journal of Chemical Engineering of Chinese Universities
