ABSTRACT

The enthalpy of solution of uracil, 5-fluorouracil, 5-chlorouracil, 6-chlorouracil, 5-bromouracil, 5-iodouracil, and 5-(trifluoromethyl)uracil in methanol at 298.15 K using the isoperibol solution calorimeter has been determined in the range of concentration (0.472 to 1.848) ? 10-3/molakg-1. The enthalpies of solvation were determined from the experimentally obtained enthalpies of solution and the previously determined enthalpies of sublimation for aqueous and methanol solutions. The transfer enthalpies of solution changeH for water-methanol, and the enthalpy of cavity formation changeH, the enthalpy of solute-solvent interaction centsintHm were calculated. The enthalpy of solvation changeH, sublimation change H, interaction centsintHm, and transfer centstrHm were correlated with the values of the surface-accessible areas of the compounds investigated.

Compounds

#	Formula	Name
1	C4H4N2O2	2,4(1H,3H)-pyrimidinedione
2	C4H3FN2O2	5-fluoro-2,4(1H,3H)-pyrimidinedione
3	C4H3ClN2O2	5-chloro-2,4-pyrimidinedione
4	C4H3BrN2O2	5-bromouracil
5	C4H3ClN2O2	6-chlorouracil
6	C4H3IN2O2	5-iodouracil
7	C5H3F3N2O2	5-(trifluoromethyl)uracil
8	CH4O	methanol

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	Constraint	Phase	Method	#Points
POMD	1 8	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	CALVET:UFactor:4	6
POMD	2 8	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	CALVET:UFactor:4	6
POMD	8 3	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	CALVET:UFactor:8	6
POMD	4 8	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	CALVET:UFactor:8	6
POMD	8 5	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	CALVET:UFactor:4	6
POMD	8 6	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 6; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	CALVET:UFactor:4	6
POMD	7 8	Molar enthalpy of solution, kJ/mol ; Liquid	Molality, mol/kg - 7; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	CALVET:UFactor:4	6

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Thermodynamic Investigation of Uracil and Its Halo Derivatives. Enthalpies of Solution and Solvation in Methanol

Zielenkiewicz, W.[Wojciech], Szterner, P.[Piotr]

ABSTRACT