ABSTRACT

The standard (p = 0.1 MPa) molar enthalpies of formation of the liquids 2'-, 3'-, and 4'-chloroacetophenones were derived from the standard molar energies of combustion, in oxygen, to yield CO2(g) and HCl 600H2O(l), at T = 298.15 K, measured by rotating-bomb combustion calorimetry. The Calvet microcalorimetry was used to measure the enthalpies of vaporization of the three compounds. These two thermodynamic parameters yielded the standard molar enthalpies of formation of the chloroacetophenone isomers, in the gaseous phase, at T = 298.15 K. An empirical scheme, developed by Cox, was used to estimate the gas-phase enthalpies of formation and the obtained values were compared with the experimental ones.

Compounds

#	Formula	Name
1	ClH	hydrogen chloride
2	CO2	carbon dioxide
3	H2O	water
4	O2	oxygen
5	C8H7ClO	o-chloroacetophenone
6	C8H7ClO	3-chlorophenyl methyl ketone
7	C8H7ClO	4'-chloroacetophenone

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, kJ/mol ; Gas	Temperature, K; Gas Pressure, kPa; Gas	Gas	Drop calorimetry	1
POMD	6	Molar enthalpy, kJ/mol ; Gas	Temperature, K; Gas Pressure, kPa; Gas	Gas	Drop calorimetry	1
POMD	7	Molar enthalpy, kJ/mol ; Gas	Temperature, K; Gas Pressure, kPa; Gas	Gas	Drop calorimetry	1
RXND	6 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	5 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

Standard molar enthalpies of formation of monochloroacetophenone isomers

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

ABSTRACT