ESTIMATION OF THE THERMODYNAMIC PROPERTIES OF NITROGUANIDINE, HEXAHYDRO-1,3,5-TRINITRO-1,3,5-TRIAZINE AND OCTAHYDRO-1,3,5,7-TETRANITRO-1,3,5,7-TETRAZOCINE IN THE GAS-PHASE
Ov. Dorofeeva et Pi. Tolmach, ESTIMATION OF THE THERMODYNAMIC PROPERTIES OF NITROGUANIDINE, HEXAHYDRO-1,3,5-TRINITRO-1,3,5-TRIAZINE AND OCTAHYDRO-1,3,5,7-TETRANITRO-1,3,5,7-TETRAZOCINE IN THE GAS-PHASE, Thermochimica acta, 240, 1994, pp. 47-66
Thermodynamic properties of nitroguanidine, hexahydro-1,3,5-trinitro-1
,3,5-triazine and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine in
the gas phase have been estimated using additivity techniques and stat
istical calculations. Ideal gas thermodynamic properties of urea, guan
idine, methanimine, 2-propanimine, nitramide, N-methyl-N-nitromethanam
ine and 1,3,5-triazine required for these estimations were calculated
by rigid-rotor harmonic-oscillator approximation using the molecular c
onstants available from the literature. Estimations obtained by the di
fference method in addition to statistical calculations give satisfact
ory values of thermodynamic properties.