Theoretical study of K-6 as high performance explosive and oxidizer

2,4,6-Trinitro-Triazacyclohexane (keto-RDX), also with another name 2-oxo-5-tert-butyl-1,3,5-Triazacyclohexane (K-6), is one of the new inexpensive explosive which can be prepared from urea and other initial reacting materials. Detonation performance of K-6 at various loading densities are studied and compared with HMX by some empirical and semi-empirical methods. The relative specific impulse of keto-RDX with respect to HMX is also calculated by a simple method and computer code. The calculated gas phase heat of formation of K-6 by PM3 procedure is used to obtain the relative specific impulse.