دورية أكاديمية
Determination and Analysis of Thermodynamic Properties of Methyl Methylanthranilate Isomers.
العنوان: | Determination and Analysis of Thermodynamic Properties of Methyl Methylanthranilate Isomers. |
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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 |
تدمد: | 1420-3049 |
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DOI: | 10.3390/molecules28186686 |