The molar heat capacities Cp,m of four crystalline compounds (5-aminouracil, 6-aminouracil, 6-amino-1-methyluracil, and 6-amino-1,3-dimethyluracil) were determined using a differential scanning calorimeter (SETARAM TGDSC 111). The measurements were made at constant pressure between (298.15 and 343.15) K. Then the molar heat capacities were correlated with temperature. The contributions of C-CH3, N-CH3, and C-NH2 groups to the standard molar heat capacity values were evaluated. The experimentally determined Cp,m o values were compared with those calculated by the Chickos method.
Compounds
#
Formula
Name
1
C4H5N3O2
2,4(1H,3H)-pyrimidinedione, 5-amino-
2
C4H5N3O2
6-aminouracil
3
C6H9N3O2
6-amino-1,3-dimethyluracil
4
C5H7N3O2
6-amino-1-methyluracil
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
Molar heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
Small sample (50 mg) DSC
10
POMD
2
Molar heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
Small sample (50 mg) DSC
10
POMD
3
Molar heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
Small sample (50 mg) DSC
10
POMD
4
Molar heat capacity at constant pressure, J/K/mol ; Crystal