Experimental and Theoretical Thermochemistry of the Isomers 3- and 4-Nitrophthalimide

Salas-López, Karina; Amador, Patricia; Rojas, Aarón; Meléndez, Francisco J.; Flores, Henoc

doi:10.1021/acs.jpca.7b02508

Cited by 5 publications

(1 citation statement)

References 59 publications

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“…The standard molar enthalpies of formation are of the utmost importance since they generally are occupied to determine standard molar enthalpies of reaction and, thus, anticipate the exothermic or endothermic nature of a process [13]. Unfortunately, thermochemical properties of certain compounds cannot be obtained experimentally since they decompose during thermal analysis or, when appropriate, they show different transitions during their heating [24]. Therefore, it is necessary to fall back on the application of functional group contribution methods and machine-learning-based models, procedures useful in chemical engineering [25,26].…”

Section: Introductionmentioning

confidence: 99%

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

García-Castro,

Díaz-Sánchez,

Galicia-Aguilar

et al. 2023

Rev. Mex. Fís.

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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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Section: Introductionmentioning

confidence: 99%

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

García-Castro,

Díaz-Sánchez,

Galicia-Aguilar

et al. 2023

Rev. Mex. Fís.

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Standard enthalpies of formation of N,N′-(1,3-phenylene)bis(phthalimide) and N,N′-(1,3-phenylene)bis(phthalimide-5-carboxilic acid)

et al. 2021

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Phase Transition Enthalpy Measurements of Organic Compounds. An Update of Sublimation, Vaporization, and Fusion Enthalpies from 2016 to 2021

Acree

Chickos

2022

Journal of Physical and Chemical Reference Data

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The compendium of phase change enthalpies published in two parts in 2016 is updated to include new fusion, vaporization, and sublimation enthalpies published in the interim and includes some earlier data either previously missed or were unavailable. Also included in this article is an update of recent studies on the phase change enthalpies of polyaromatic hydrocarbons. Group values previously evaluated to adjust for temperature of phase changes are updated for aromatic compounds in view of recent experimental data. The new group parameters have been evaluated on the basis of their consistency in providing appropriate temperature adjustments to phase change enthalpies at T = 298 K as evaluated by a thermochemical cycle. This evaluation provides transition temperatures and about 1000 heats of fusion, 700 heats of vaporization, 500 heats of sublimation, and about 50 other heats of transitions for about 30 polyaromatic hydrocarbons and 1100 other molecules consisting of C1-C57 organic compunds, organometallics, inorganic compounds, and ionic liquids taken from about 900 references.

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Experimental and Theoretical Thermochemistry of the Isomers 3- and 4-Nitrophthalimide

Cited by 5 publications

References 59 publications

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

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

Standard enthalpies of formation of N,N′-(1,3-phenylene)bis(phthalimide) and N,N′-(1,3-phenylene)bis(phthalimide-5-carboxilic acid)

Phase Transition Enthalpy Measurements of Organic Compounds. An Update of Sublimation, Vaporization, and Fusion Enthalpies from 2016 to 2021

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