AbstractThe present work is devoted to the determination of conditions of thermodynamic stability of carbon nitride having structure of β‐C3N4. The thermodynamic functions of crystalline covalent carbon nitride required for thermodynamic reckoning of parameters of formation of carbon nitride were determined on the base of the Debye theory with the characteristic temperature varied in the range from 1000 K to 2500 K. The formation enthalpy of carbon nitride was estimated on the base of the energy of atomization and formation enthalpy of a mixture of atomized carbon and nitrogen. The resulted quantity of the standard formation enthalpy of covalent carbon nitride at 298.15 K made up 4.47 kcal/mol. Thermodynamic computations were accomplished with the use of the Automated System of Thermodynamic Reckonings and Algorithms ASTRAL. Behavior of the gaseous phase of a chemical system was described by the BKW‐RR equation of state. Carbon nitride was considered to be incompressible. The region of thermodynamic stability of covalent carbon nitride is computed. It is shown that in contrast to the carbon condensation into graphite the pressure of condensation of β‐C3N4when adding other chemical elements to a thermodynamic system can not only increase but decrease as well. Consideration of detonation and explosion processes in high explosives shows a way for practical synthesis of covalent carbon