Experimental and computational thermochemical study of the tri-, tetra-, and pentachloronitrobenzene isomers

A joint experimental and computational investigation on the thermochemistry of (nitrophenyl)pyrroles

“…The value of D g cr C p;m was estimated as being À50 J Á K À1 Á mol À1 , according to estimations made by Burkinshaw and Mortimer [35], a value that our Research Group has already used in previous papers, for other organic compounds [13,14,16,[36][37][38][39][40][41][42][43][44]. The standard molar enthalpies, entropies and Gibbs energies of sublimation, at T = 298.15 K, are presented in table 7.…”

Experimental and computational thermochemistry of 1-phenylpyrrole and 1-(4-methylphenyl)pyrrole

“…For each compound, the calculated enthalpies of sublimation obtained from each individual orifice are in consonance within experimental error. The equilibrium pressures at this temperature pðhTiÞ and the entropies of sublimation, at equilibrium conditions, are also presented with the later calculated as For each compound studied, the value of D g cr C p;m was assumed as being À50 J Á K À1 Á mol À1 , resembling estimations made by other authors [54], a value that our Research Group has already used for other organic compounds [30,31,[55][56][57][58][59][60][61][62]. Table 7 presents, for each compound, the values, at T = 298.15 K, of the standard molar enthalpies, entropies, and Gibbs energies of sublimation.…”

Experimental and computational energetic study of two halogenated 2-acetylpyrrole derivatives: 2-Trichloroacetylpyrrole and 2-trifluoroacetylpyrrole

“…The enthalpies of sublimation, at T = 298.15 K, D g cr H m , were derived from the same thermodynamic parameter, at the mean temperature hTi of the experiment, by equation (8) According to estimations made by other authors [44], the value of D g cr C p;m considered was À50 J Á K À1 Á mol À1 , a value that has already been used in previous works devoted to other organic compounds [9,10,12,[45][46][47][48][49][50][51][52][53]. Table 7 presents, for each compound, the values, at T = 298.15 K, of the standard molar enthalpies, entropies, and Gibbs energies of sublimation.…”