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