ABSTRACT

Pyrimethanil myristic salt was synthesized and its heat capacities were measured with an automated adiabatic calorimeter over the temperature range from T=(79 to 360) K.The melting point, molar enthalpy, fusHm and entropy, fusSm, of fusion of this compound were determined to be (321.84 +/- 0.05) K, (56.53+/- 0.03) kJ ? mol-1 and (175.64 +/- 0.05) J ? mol-1 ? K-1, respectively. The purity of the compound was calculated to be 98.99 mol% by using the fractional melting technique. The thermodynamic functions relative to the reference temperature, T=298.15 K, were calculated based on the heat capacity measurements in the temperature ranges from T=(80 to 360) K. The TG-DTG results demonstrate that the mass loss of the sample takes place in one step with the maximum rate at T=500 K, which was caused by evaporation of the sample.

Compounds

#	Formula	Name
1	C26H41N3O2	pyrimethanil myristic salt

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 enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	ADIACA:UFactor:4	1
POMD	1	Triple point temperature, K ; Crystal			Crystal Liquid Gas	VISOBS	1
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:4	121
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:4	56
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	VADIAC:UFactor:4	48
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	VADIAC:UFactor:4	8
POMD	1	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Vacuum adiabatic calorimetry	48
POMD	1	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vacuum adiabatic calorimetry	8
POMD	1	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Vacuum adiabatic calorimetry	48
POMD	1	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vacuum adiabatic calorimetry	8

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Heat capacity and thermodynamic properties of pyrimethanil myristic salt (C26H41N3O2)

Wang, M.-H.[Mei-Han], Tan, Z.-C.[Zhi-Cheng], Sun, X.H.[Xiao Hong], Liu, Y.F.[Yuan Fa], Wang, H.-F.[Hui-Fang], Sun, L.-X.[Li-Xian], Zhang, T.[Tao]

ABSTRACT