Standard Enthalpies of Formation of Te2MoO7 and ZnMoTeO6

Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers

Experimental thermochemical study of 2,5- and 2,6-dichloro-4-nitroanilines

Combined experimental and computational thermochemistry of isomers of chloronitroanilines

Experimental thermochemical study of two chlorodinitroaniline isomers

Standard molar enthalpies of formation of three methyl-pyrazole derivatives

Thermochemical study of the isomeric compounds: 3-acetylbenzonitrile and benzoylacetonitrile

Standard molar enthalpies of formation of 2-, 3- and 4-cyanobenzoic acids

Experimental thermochemical study of 2-chloroacetophenone and 2,4’-dichloroacetophenone

Experimental thermochemical study of 4,5-dichloro-2-nitroaniline

The standard (po = 0.1 MPa) molar enthalpies of formation of 2‐, 3‐, and 4‐methylbenzophenone were derived from the standard molar energies of combustion, in oxygen, at T = 298.15 K, measured by static bomb combustion calorimetry. The Calvet high temperature vacuum sublimation technique was used to measure the enthalpies of vaporization or sublimation of the three isomers. The standard molar enthalpies of formation of the three isomers of methylbenzophenone, in the gaseous phase and at T = 298.15 K have been derived from the corresponding standard molar enthalpies of formation in the condensed phase and standard molar enthalpies for phase transition. The results obtained are (27.2 ± 3.7) kJ · mol−1, (22.7 ± 4.0) kJ · mol−1, and (20.4 ± 3.0) kJ · mol−1 for 2‐methyl, 3‐methyl, and 4‐methylbenzophenones, respectively. Standard molar enthalpies of formation were also estimated by employing two different methodologies, one based on the Cox scheme and one other based on DFT computations. The agreement between experimental and estimated results is very good. Two possible conformations were found for the 2‐methyl and 3‐methylbenzophenones, one with the CO bond pointing in the same direction of the PhCH3 bond and another one with these bonds pointing in different directions. The former conformations are most stable by 5.1 and 0.9 kJ · mol−1 for 2‐methyl and 3‐methyl isomers, respectively. Copyright © 2007 John Wiley & Sons, Ltd.

The standard (po = 0.1 MPa) molar enthalpies of formation in the condensed phase of seven isomers of fluoromethylaniline were derived from the standard molar energies of combustion, in oxygen, to yield CO2(g), N2(g) and HF.10H2O(l), at T = 298.15 K, measured by rotating bomb combustion calorimetry. The standard molar enthalpies of vaporization or sublimation of these compounds, also at T = 298.15 K, were determined using Calvet microcalorimetry, while the enthalpies of fusion of the solid compounds were determined by differential scanning calorimetry. The standard molar enthalpies of formation in the gaseous phase, at T = 298.15 K, were derived from the former two experimental quantities. G3MP2//B3LYP calculations were performed for all possible fluoromethylanilines allowing the estimation of data for the isomers that were not studied experimentally. The Cox scheme was applied with two different approaches for the estimation of the standard molar enthalpies of formation of all the isomers studied, and this led to the conclusion that the literature values for the enthalpies of formation of the meta and para isomers of methylaniline seem to be not reliable. Further G3MP2//B3LYPs calculations on the methylaniline isomers yielded new values for the standard molar enthalpies of formation of the isomers of methylaniline, which have been tested under the Cox scheme, resulting in better estimates.

Standard molar enthalpies of formation and of sublimation of the terphenyl isomers

Standard molar enthalpies of formation of the methoxynitrophenol isomers: a combined experimental and theoretical investigation

Standard molar enthalpy of formation of methoxyacetophenone isomers

Thermochemical study of 2,5-dimethyl-3-furancarboxylic acid, 4,5-dimethyl-2-furaldehyde, and 3-acetyl-2,5-dimethylfuran