ABSTRACT

The standard (po = 0.1 MPa) molar enthalpies of formation of 2-, 2'-, 3'- and 4'-bromoacetophenones were derived from the standard molar energies of combustion in oxygen, to yield CO2 (g) and HBr 600H2O (l) at T = 298.15 K, measured by rotating bomb combustion calorimetry. The standard molar enthalpies associated with phase transitions of the isomers studied at T = 298.15 K, were obtained by high temperature Calvet microcalorimetry. The standard (po = 0.1 MPa) molar enthalpies of formation of all the bromoacetophenone isomers in the gaseous phase at T = 298.15 K were derived from the experimental results. The gas-phase enthalpies of formation were also estimated by the empirical scheme developed by Cox and the values obtained were compared with the experimental ones. The results are interpreted in terms of the energetic increments for the introduction of the substituents in the benzene ring.

Compounds

#	Formula	Name
1	BrH	hydrogen bromide
2	CO2	carbon dioxide
3	H2O	water
4	O2	oxygen
5	C8H7BrO	.alpha.-bromoacetophenone
6	C8H7BrO	1-acetyl-3-bromobenzene
7	C8H7BrO	2'-bromoacetophenone
8	C8H7BrO	4'-bromoacetophenone

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Phase	Method	#Points
POMD	5	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	Static calorimetry	1
POMD	6	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Static calorimetry	1
POMD	7	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Static calorimetry	1
POMD	8	Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal	Temperature, K; Crystal	Crystal Gas	Static calorimetry	1
RXND	5 1 2 3 4	Specific internal energy of reaction at constant volume, J/g			Rotating bomb calorimetry	1
RXND	7 1 2 3 4	Specific internal energy of reaction at constant volume, J/g			Rotating bomb calorimetry	1
RXND	6 1 2 3 4	Specific internal energy of reaction at constant volume, J/g			Rotating bomb calorimetry	1
RXND	8 1 2 3 4	Specific internal energy of reaction at constant volume, J/g			Rotating bomb calorimetry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Calorimetric study of bromoacetophenone isomers

Amaral, L. M. P. F.[Luisa M. P. F.], Ribeiro da Silva, M. A. V.[Manuel. A. V.]

ABSTRACT