دورية أكاديمية
أعرض في EDS

Determination and Analysis of Thermodynamic Properties of Methyl Methylanthranilate Isomers.

التفاصيل البيبلوغرافية
العنوان: Determination and Analysis of Thermodynamic Properties of Methyl Methylanthranilate Isomers.
المؤلفون: Silva CAO; Research Center, Institute of Molecular Sciences (IMS), Department of Chemistry and Biochemistry (DQB), Faculty of Sciences, University of Porto (FCUP), Rua do Campo Alegre, 4169-007 Porto, Portugal., Freitas VLS; Research Center, Institute of Molecular Sciences (IMS), Department of Chemistry and Biochemistry (DQB), Faculty of Sciences, University of Porto (FCUP), Rua do Campo Alegre, 4169-007 Porto, Portugal., da Silva MDMCR; Research Center, Institute of Molecular Sciences (IMS), Department of Chemistry and Biochemistry (DQB), Faculty of Sciences, University of Porto (FCUP), Rua do Campo Alegre, 4169-007 Porto, Portugal.
المصدر: Molecules (Basel, Switzerland) [Molecules] 2023 Sep 18; Vol. 28 (18). Date of Electronic Publication: 2023 Sep 18.
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: MDPI Country of Publication: Switzerland NLM ID: 100964009 Publication Model: Electronic Cited Medium: Internet ISSN: 1420-3049 (Electronic) Linking ISSN: 14203049 NLM ISO Abbreviation: Molecules Subsets: MEDLINE
أسماء مطبوعة: Original Publication: Basel, Switzerland : MDPI, c1995-
مستخلص: The enthalpies of formation in the gaseous phase of methyl 3-methylanthranilate and methyl 5-methylanthranilate were determined from experimental measurements of the corresponding standard energies of combustion, obtained from combustion calorimetry, and the standard enthalpies of vaporization and sublimation, obtained from Calvet microcalorimetry and Knudsen mass-loss effusion. A computational study, using the G3(MP2)//B3LYP composite method, has also been performed for the calculation of the gas-phase standard enthalpies of formation of those two molecules at T = 298.15 K, as well as for the remaining isomers, methyl 4-methylanthranilate and methyl 6-methylanthranilate. The results have been used to evaluate and analyze the energetic effect of the methyl substituent in different positions of the ring.
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معلومات مُعتمدة: UIDB/00081/2020 Fundação para a Ciência e Tecnologia; LA/P/0056/2020 Fundação para a Ciência e Tecnologia; SFRH/BD/137672/2018 Fundação para a Ciência e Tecnologia
فهرسة مساهمة: Keywords: contaminants; energetic study; enthalpy of combustion; enthalpy of formation; enthalpy of phase transition; fragrance compounds; methyl substituent
تواريخ الأحداث: Date Created: 20230928 Latest Revision: 20230930
رمز التحديث: 20231215
مُعرف محوري في PubMed: PMC10534601
DOI: 10.3390/molecules28186686
PMID: 37764462
قاعدة البيانات: MEDLINE
الوصف
تدمد:1420-3049
DOI:10.3390/molecules28186686