Heat Capacity and Thermodynamic Functions of 6-Phenyl- and 6-(4-Methoxyphenyl)-1,5-Diazabicyclo[3.1.0]hexane

The heat capacity of two diaziridine derivatives: 6-phenyl- and 6-(4-methoxyphenyl)-1,5-diaza-bicyclo[3.1.0]hexane was determined by vacuum adiabatic calorimetry in the temperature range of 6–350 K. For both compounds, no phase transformations were detected in this temperature range. The obtained experimental data were smoothed with power polynomials; the thermodynamic functions were calculated in the temperature range of 5–350 K, and the formation functions in the condensed state were calculated at 298.15 K. The thermodynamic functions of these compounds in the gaseous state in the range of 100–1000 K were calculated by quantum chemical methods.