title: Heats of sublimation of nitramines based on simple parameters.
abstract: In this work, a simple procedure is introduced to determine heats of sublimation of nitramines as an important class of explosives. Molecular weight and one structural parameter of nitramines would be needed in the new method. Calculated heats of sublimation for well-known explosives such as HMX [1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane], RDX [1,3,5-trinitro-1,3,5-triazacyclohexane] and TETRYL [1-(methylnitramino)-2,4,6-trinitrobenzene] as well as new nitramines CL-20 [2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane] and TNAZ [1,3,3-trinitroazatidine] show good agreement with experimental data. R-squared value or the coefficient of determination of new correlation is 0.945. The root-mean-square deviation (RMS) from experiment for the predicted heats of sublimation by new method is 10.10 kJ/mol.
authors.affiliation: Department of Chemistry, Malek-ashtar University of Technology, Shahin-shahr PO Box 83145/115, Islamic Republic of Iran. mhkeshavarz@mut-es.ac.ir <mhkeshavarz@mut-es.ac.ir>
authors.forename: Mohammad Hossein
authors.initials: MH
authors.lastname: Keshavarz
authors.forename: Mohammad Hassan
authors.initials: MH
authors.lastname: Yousefi