Thermodynamic and Theoretical solvation parameters for 2-amino-4,5-dimethylthiophene-3-carboxamide(ADTC) in Ethanol and Mixed EtOH-H2O solvents

E. A. Gomaa, Moged A. Berghout, Mohamed R. Moustafa, Fathy M. El Taweel, Hader M . Farid
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引用次数: 9

Abstract

The molar solubility for 2-amino-4,5-dimethylthiophene-3-carboxamide  (ADTC) in pure ethanol and mixed ethanol (EtOH)- water solvents were measured at five different temperatures, 293.15, 298.15, 303.15, 308.15, and 313.15 K in the used mixed solvents, the solubility were increase by increase in the mole fraction of ethanol in the mixtures and increase of temperature due to more salvation parameters. All the solvation and thermodynamic parameters for ADTC in mixed EtOH+ H2O solvents were evaluated like solubility products, Gibbs free energies, enthalpies and entropies of solvation and discussed. Theoretical calculations for (ADTC) were done quantum mechanically by using Gaussian on set of calculations in ethanol for evaluating the different thermodynamic parameters.
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2-氨基-4,5-二甲基噻吩-3-羧酰胺(ADTC)在乙醇和混合乙醇-水溶剂中的热力学和理论溶剂化参数
在293.15、298.15、303.15、308.15和313.15 K的温度下,测定了2-氨基-4,5-二甲基噻吩-3-carboxamide (ADTC)在纯乙醇和混合乙醇(EtOH)-水溶剂中的摩尔溶解度,结果表明,随着混合物中乙醇摩尔分数的增加和温度的升高,ADTC的溶解度有所提高。对ADTC在EtOH+ H2O混合溶剂中的溶解度产物、吉布斯自由能、溶剂化焓和熵等溶剂化和热力学参数进行了评价,并进行了讨论。采用量子力学方法对乙醇中不同热力学参数的计算进行了高斯理论计算。
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