Standard enthalpies of formation of 2,6-di-tert-butyl-4-methylphenol and 3,5-di-tert-butylphenol and their phenoxy radicals

• Tipo: Artigo em Revista Científica Internacional
• Data: 2001

Autores

da Silva, MAVR (Autor) FCUP; Matos, MAR (Autor) FCUP; Miranda, MS (Autor) FCUP; Sousa, MHFA (Autor) Outra; dos Santos, RMB (Autor) Outra; Bizarro, MM (Autor) Outra; Simoes, JAM (Autor) Outra

Revista

Título: Structural Chemistry

Vol. 12

Páginas: 171-181

ISSN: 1040-0400

Editora: Springer Nature

Indexação

ISI Web of Knowledge - 21 Citações

Scopus - 19 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Química

Outras Informações

ID Authenticus: P-000-W20

DOI: 10.1023/a:1016600727116

Abstract (EN): The standard (p(o) = 0.1 MPa) enthalpies of formation of 2,6-di-tert-butyl-4-methylphenol and 3,5-di-tert-butylphenol in the gaseous phase, -315.5 +/- 4.4 kJ mol(-1) and -312.7 +/- 4.6 kJ mol(-1), respectively, were derived from the standard enthalpies of combustion, in oxygen, at 298.15 K, measured by static bomb combustion calorimetry, and from the standard enthalpies of sublimation, at 298.15 K, measured by Calvet microcalorimetry. The O-H bond dissociation enthalpies in those compounds were determined in benzene by photoacoustic calorimetry, leading to the standard enthalpies of formation of the gaseous phenoxy radicals: -189 +/- 8 kJ mol(-1) and -154 +/- 6 kJ mol(-1), respectively. These results were used to calculate enthalpies of substituent redistribution reactions, which are proposed as a method to estimate new data for substituted phenols.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 11