ABSTRACT

Temperature dependence of the heat capacity and the parameters of phase transitions of 1- ethyl-4-nitro-1,2,3-triazole (1ET) were studied between (5 and 370) K in a vacuum adiabatic calorimeter. Thermodynamic properties of the 1ET in the condensed state were obtained over the range of (0 to 370) K. Saturated vapor pressure for crystalline 1ET in the temperature ranges from (313 to 344) K and its enthalpy of sublimation were measured by the Knudsen effusion method. The standard enthalpy of formation for crystalline 1ET at 298.15 K was determined in a static bomb combustion calorimeter. From these data, the standard enthalpy of formation for gaseous 1ET was evaluated. The enthalpy of formation calculated using quantum chemical methods is in excellent agreement with the experimental value.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	N2	nitrogen
3	H2O	water
4	O2	oxygen
5	C4H6N4O2	1-ethyl-4-nitro-1,2,3-triazole

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	Triple point temperature, K ; Crystal 1		Crystal 1 Liquid Gas	VISOBS	1
POMD	5	Triple point temperature, K ; Crystal 2		Crystal 2 Crystal 1 Gas	VISOBS	1
POMD	5	Triple point temperature, K ; Crystal 3		Crystal 3 Crystal 2 Gas	VISOBS	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2		Crystal 2 Crystal 1 Gas	Calculated as the difference between measured values of enthalpy of C1,L,air and C3,C2, air	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1		Crystal 1 Liquid Gas	Adiabatic calorimetry	1
POMD	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3		Crystal 3 Crystal 2 Gas	Adiabatic calorimetry	1
POMD	5	Molar heat capacity at saturation pressure, J/K/mol ; Crystal 3	Temperature, K; Crystal 3	Crystal 3 Gas	Vacuum adiabatic calorimetry	264
POMD	5	Molar heat capacity at saturation pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Crystal 2 Gas	Vacuum adiabatic calorimetry	91
POMD	5	Molar heat capacity at saturation pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Crystal 1 Gas	Vacuum adiabatic calorimetry	163
POMD	5	Molar heat capacity at saturation pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Vacuum adiabatic calorimetry	23
POMD	5	Molar entropy, J/K/mol ; Crystal 3	Temperature, K; Crystal 3	Crystal 3 Gas	Vacuum adiabatic calorimetry	28
POMD	5	Molar entropy, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Crystal 2 Gas	Vacuum adiabatic calorimetry	5
POMD	5	Molar entropy, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Crystal 1 Gas	Vacuum adiabatic calorimetry	14
POMD	5	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Vacuum adiabatic calorimetry	4
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal 3	Temperature, K; Crystal 3	Crystal 3 Crystal 2	Vacuum adiabatic calorimetry	27
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal 2	Temperature, K; Crystal 2	Crystal 2 Crystal 1	Vacuum adiabatic calorimetry	5
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal 1	Temperature, K; Crystal 1	Crystal 1 Liquid	Vacuum adiabatic calorimetry	14
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Vacuum adiabatic calorimetry	4
POMD	5	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal	Crystal Gas	Calculated from knudsen effusion weight loss	16
RXND	5 1 2 3 4	Specific internal energy of reaction at constant volume, J/g			Static bomb calorimetry	1

Thermodynamics Research Center / ThermoML | Thermochimica Acta

Thermodynamic Properties of 1-Ethyl-4-nitro-1,2,3-triazole

Blokhin, A. V.[Andrey V.], Kohut, S. V.[Sviataslau V.], Kabo, G. J.[Gennady J.], Stepurko, E. N., Paulechka, Y. U.[Yauheni U.], Voitkevich, O. V.[Olga V.]

ABSTRACT