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
{"title":"Thermodynamic and Theoretical solvation parameters for 2-amino-4,5-dimethylthiophene-3-carboxamide(ADTC) in Ethanol and Mixed EtOH-H2O solvents","authors":"E. A. Gomaa, Moged A. Berghout, Mohamed R. Moustafa, Fathy M. El Taweel, Hader M . Farid","doi":"10.29088/SAMI/PCBR.2018.1.1928","DOIUrl":null,"url":null,"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.","PeriodicalId":20668,"journal":{"name":"Progress in Chemical and Biochemical Research","volume":"8 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2018-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"9","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Progress in Chemical and Biochemical Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.29088/SAMI/PCBR.2018.1.1928","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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.
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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
自引率
0.00%
发文量
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信