当前位置：
X-MOL 学术
›
J. Chem. Eng. Data
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Experimental and Theoretical Thermochemical Study of Nitrobenzaldehyde Isomers
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2020-09-03 , DOI: 10.1021/acs.jced.0c00562 Arturo Ximello 1 , Fernando Ramos 2 , Aarón Rojas 3 , Julio M. Hernández-Pérez 2 , E. Adriana Camarillo 2 , J. M. Solano-Altamirano 2 , Jacinto Sandoval-Lira 4 , Henoc Flores 2
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2020-09-03 , DOI: 10.1021/acs.jced.0c00562 Arturo Ximello 1 , Fernando Ramos 2 , Aarón Rojas 3 , Julio M. Hernández-Pérez 2 , E. Adriana Camarillo 2 , J. M. Solano-Altamirano 2 , Jacinto Sandoval-Lira 4 , Henoc Flores 2
Affiliation
|
Using different calorimetric techniques, the thermophysical and thermochemical properties of 2-, 3-, and 4-nitrobenzaldehyde were determined, including combustion energies, sublimation enthalpies, heat capacities, vaporization enthalpies, and enthalpies of formation in the gas phase. The latter were also calculated by means of the Gaussian G4 composite method and atomization reactions. Equations of heat capacity as functions of temperature, in the condensed phase, were measured experimentally, whereas the equations for heat capacities in the gas phase were calculated via computational techniques. By means of an isoperibolic combustion calorimeter, combustion energies were also determined. Sublimation enthalpies were obtained through thermogravimetry, by measuring the rate of mass loss as a function of temperature and applying the Langmuir equation. Fusion temperatures, fusion enthalpies, and heat capacities were determined using differential scanning calorimetry. The energetic influence of the nitro group on the aromatic ring is discussed briefly, and the presence of hydrogen bonding in 2-nitrobenzaldehyde is theoretically supported.
中文翻译：
硝基苯甲醛异构体的实验和理论热化学研究
使用不同的量热技术，测定了2-，3-和4-硝基苯甲醛的热物理和热化学性质，包括燃烧能，升华焓，热容，汽化焓和气相形成焓。后者也通过高斯G4复合方法和雾化反应计算。实验测量了冷凝相中热容随温度变化的方程，而气相热容经计算技术来计算。借助等代谢燃烧量热计，还确定了燃烧能量。通过热重分析，通过测量质量损失速率随温度的变化以及应用Langmuir方程来获得升华焓。使用差示扫描量热法测定熔融温度，熔融焓和热容量。简要讨论了硝基对芳环的能量影响，并从理论上支持了2-硝基苯甲醛中氢键的存在。
更新日期：2020-10-08
中文翻译：
硝基苯甲醛异构体的实验和理论热化学研究
使用不同的量热技术，测定了2-，3-和4-硝基苯甲醛的热物理和热化学性质，包括燃烧能，升华焓，热容，汽化焓和气相形成焓。后者也通过高斯G4复合方法和雾化反应计算。实验测量了冷凝相中热容随温度变化的方程，而气相热容经计算技术来计算。借助等代谢燃烧量热计，还确定了燃烧能量。通过热重分析，通过测量质量损失速率随温度的变化以及应用Langmuir方程来获得升华焓。使用差示扫描量热法测定熔融温度，熔融焓和热容量。简要讨论了硝基对芳环的能量影响，并从理论上支持了2-硝基苯甲醛中氢键的存在。
京公网安备 11010802027423号