Accession Number : ADA310403
Title : Some Computationally-Predicted Properties of a Group of Proposed Energetic Compounds.
Descriptive Note : Technical rept.,
Corporate Author : NEW ORLEANS UNIV LA DEPT OF CHEMISTRY
Personal Author(s) : Politzer, Peter ; Lane, Pat ; Grice, M. E.
PDF Url : ADA310403
Report Date : JUN 1996
Pagination or Media Count : 6
Abstract : We have carried out computational analyses and predictions of certain properties for a group of proposed energetic target compounds. The properties reported are: Heat of formation, 298 K, gaseous; heat of sublimation, 298 K; heat of formation, 298 K, solid; heat of fusion at melting point; heat of vaporization at boiling point; density, liquid; boiling point; impact sensitivity. Of the molecules considered, 1,3,5,7-tetranitro-2,4,6,8-tetraazacubane is particularly promising as a potential energetic compound.
Descriptors : *HEAT OF VAPORIZATION, *HEAT OF FORMATION, *HEAT OF FUSION, *HEAT OF SUBLIMATION, DENSITY, IMPACT STRENGTH, MATHEMATICAL PREDICTION, MOLECULAR STRUCTURE, ENERGETIC PROPERTIES, MELTING POINT, CYCLIC COMPOUNDS, BOILING POINT.
Subject Categories : Physical Chemistry
Distribution Statement : APPROVED FOR PUBLIC RELEASE