Diniconazole and hexaconazole are wide spectrum triazole fungicides with high-efficiency and low toxicity. The specific molar heat capacity (Cp,m) of diniconazole and hexaconazole were determined by a continuous Cp mode of micro-calorimeter and theoretical calculation, their Cp,m values at T = 298.15 K were 381.72 J K 1 mol 1 and 364.66 J K 1 mol 1, respectively. The Cp,m value of diniconazole is higher than that of hexaconazole at temperature from T = (283.15 to 353.15) K.
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
Mass density, kg/m3 ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
X-ray diffraction
1
POMD
1
Molar heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
Small sample (50 mg) DSC
15
POMD
2
Mass density, kg/m3 ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
X-ray diffraction
1
POMD
2
Molar heat capacity at constant pressure, J/K/mol ; Crystal