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https://hdl.handle.net/10216/101892
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DC Field | Value | Language |
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dc.creator | Almeida, ARRP | |
dc.creator | Matos, MAR | |
dc.creator | Victor M F Morais | |
dc.creator | Manuel J S Monte | |
dc.date.accessioned | 2024-02-06T00:11:35Z | - |
dc.date.available | 2024-02-06T00:11:35Z | - |
dc.date.issued | 2010 | |
dc.identifier.issn | 1520-6106 | |
dc.identifier.other | sigarra:48618 | |
dc.identifier.uri | https://hdl.handle.net/10216/101892 | - |
dc.description.abstract | The standard (p(0) = 0.1 MPa) molar enthalpies of formation, in the crystalline phase, of five aminomethoxybenzoic acids, at T = 298.15 K, were derived from the standard molar energies of combustion in oxygen, measured by static-bomb combustion calorimetry. Combining these results with literature results of the standard molar enthalpies of sublimation, at T = 298.15 K, the standard molar enthalpies of formation, in the gaseous phase, were derived. Additionally, the enthalpies of formation of the ten possible isomers of aminomethoxybenzoic acid were estimated using accurate Double Hybrid Density Functional Theory (DHDFT) computational methods. The good agreement between the experimental and estimated values of the enthalpies of formation of the five isomers studied experimentally allows us to be confident on the estimated values for the other five isomers. A quantitative evaluation and analysis of the aromatic character of all the studied isomers based on the calculation of Nucleus Independent Chemical Shifts (NICS) was also conducted. | |
dc.language.iso | eng | |
dc.rights | restrictedAccess | |
dc.subject | Química física, Engenharia química | |
dc.subject | Physical chemistry, Chemical engineering | |
dc.title | A Calorimetric and Computational Study of Aminomethoxybenzoic Acids | |
dc.type | Artigo em Revista Científica Internacional | |
dc.contributor.uporto | Faculdade de Ciências | |
dc.contributor.uporto | Instituto de Ciências Biomédicas Abel Salazar | |
dc.identifier.doi | 10.1021/jp106006a | |
dc.identifier.authenticus | P-003-2X1 | |
dc.subject.fos | Ciências da engenharia e tecnologias::Engenharia química | |
dc.subject.fos | Engineering and technology::Chemical engineering | |
Appears in Collections: | FCUP - Artigo em Revista Científica Internacional ICBAS - Artigo em Revista Científica Internacional |
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File | Description | Size | Format | |
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48618.pdf Restricted Access | 113.78 kB | Adobe PDF | Request a copy from the Author(s) |
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