Standard molar enthalpies of formation of 3-methylglutaric and 3,3-dimethylglutaric anhydrides

IF 1.2 4区 物理与天体物理 Q3 PHYSICS, MULTIDISCIPLINARY Revista Mexicana De Fisica Pub Date : 2023-09-01 DOI:10.31349/revmexfis.69.051701
Miguel Angel García-Castro, F. Díaz-Sánchez, J. A. Galicia-Aguilar, Esmeralda Vidal-Robles
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Abstract

In this research, both the standard molar enthalpy of formation in the crystalline phase and in the gas phase of 3-methylglutaric anhydride was calculated from experimental data. The temperature and enthalpy of fusion, as well as the molar heat capacity in solid phase was calculated by differential scanning calorimetry; the molar enthalpy of sublimation at 298.15 K by the Knudsen effusion method, the molar enthalpy of vaporization at 298.15 K by thermogravimetric analysis, and the standard massic combustion energy by combustion adiabatic calorimetry. Since 3,3-dimethylglutaric anhydride presented crystal transitions (with endothermic points at 352.76 K, 356.98 K and 397.15 K), some of its thermochemical properties were estimated from the functional group-contribution methods proposed by Benson, Gani and Naef and from application of Machine Learning based models.
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3-甲基戊二酸和3,3-二甲基戊二酸酐形成的标准摩尔焓
本研究根据实验数据计算了3-甲基戊二酸酐结晶相和气相的标准摩尔生成焓。用差示扫描量热法计算了熔合温度、熔合焓和固相摩尔热容;298.15 K时升华的摩尔焓,298.15 K时蒸发的摩尔焓,298.15 K时燃烧绝热量热法的标准质量燃烧能。由于3,3-二甲基戊二酸酐存在晶体转变(吸热点在352.76 K, 356.98 K和397.15 K),因此可以通过Benson, Gani和Naef提出的官能团贡献方法以及基于机器学习的模型的应用来估计其一些热化学性质。
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来源期刊
Revista Mexicana De Fisica
Revista Mexicana De Fisica 物理-物理:综合
CiteScore
2.20
自引率
11.80%
发文量
87
审稿时长
4-8 weeks
期刊介绍: Durante los últimos años, los responsables de la Revista Mexicana de Física, la Revista Mexicana de Física E y la Revista Mexicana de Física S, hemos realizado esfuerzos para fortalecer la presencia de estas publicaciones en nuestra página Web ( http://rmf.smf.mx).
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