Thermodynamic properties of 5-(1-adamantyl)tetrazole

• Heat capacity, enthalpy of formation, vapor pressure, and enthalpy of sublimation were measured for 5-(1-adamantyl)tetrazole.
• Crystal structure of the compound was determined from the X-ray diffraction analysis.
• Ideal-gas thermodynamic properties of 5-(1-adamantyl)tetrazole were calculated.

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.

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