ABSTRACT

Temperature dependence of the heat capacity of 5-(1-adamantyl)tetrazole was studied between (5 and 370) K in a vacuum adiabatic calorimeter. From obtained data the thermodynamic properties of the compound in the condensed state were evaluated over the range of (0 370) K. The crystal structure of 5-(1-adamantyl)tetrazole was determined from the X-ray diffraction analysis. The saturated vapor pressure for crystalline 5-(1-adamantyl)tetrazole in the temperature ranges from (394 to 419) K was measured by the Knudsen effusion method, and its enthalpy of sublimation was obtained using these results. The standard enthalpy of formation for crystalline 5-(1-adamantyl)tetrazole at 298.15 K was determined in a static bomb combustion calorimeter. From these data, the standard enthalpy of formation for gaseous 5-(1-adamantyl)tetrazole was evaluated. The enthalpy of formation calculated using quantum chemical methods is in an excellent agreement with the experimental value. The thermodynamic properties of 5-(1-adamantyl)tetrazole in the ideal-gas state were calculated in the temperature range from (0 to 1000) K. The calculated entropy of gaseous 5-(1-adamantyl)tetrazole is in a good agreement with the one obtained from the experimental data.

Compounds

#	Formula	Name
1	CO2	carbon dioxide
2	N2	nitrogen
3	H2O	water
4	O2	oxygen
5	C11H16N4	5-(1-adamantyl)tetrazole

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	5	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	VISOBS	1
POMD	5	Mass density, kg/m3 ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal		Crystal	Pycnometric method	1
POMD	5	Mass density, kg/m3 ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal		Crystal	X-ray diffraction	1
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	30
POMD	5	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	30
POMD	5	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small (less than 1 g) adiabatic calorimetry	30
POMD	5	Vapor or sublimation pressure, kPa ; Crystal	Temperature, K; Crystal		Crystal Gas	Calculated from knudsen effusion weight loss	15
POMD	5	Molar heat capacity at constant pressure, J/K/mol ; Ideal gas	Temperature, K; Ideal gas	Pressure, kPa; Ideal gas	Ideal gas	Statistical thermodynamic calculations	14
POMD	5	Molar entropy, J/K/mol ; Ideal gas	Temperature, K; Ideal gas	Pressure, kPa; Ideal gas	Ideal gas	Statistical thermodynamic calculations	14
POMD	5	Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Ideal gas	Temperature, K; Ideal gas	Pressure, kPa; Ideal gas	Ideal gas	Statistical thermodynamic calculations	14
POMD	5	Molar heat capacity at saturation pressure, J/K/mol ; Crystal	Temperature, K; Crystal		Crystal Gas	Small (less than 1 g) adiabatic calorimetry	205
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 5-(1-adamantyl)tetrazole

Stepurko, E. N.[Elena N.], Paulechka, Y. U.[Yauheni U.], Blokhin, A. V.[Andrey V.], Kabo, G. J.[Gennady J.], Voitekhovich, S. V.[Sergei V.], Lyakhov, A. S.[Alexander S.], Kohut, S. V.[Sviataslau V.], Kazarovets, T. E.[Tatiana E.]

ABSTRACT