Physical Properties of Select Explosive Components for Assessing Their Fate and Transport in the Environment

Abstract

Information on physical properties of munitions compounds is necessary for assessing their environmental distribution and transport, and predict potential hazards. This information is also needed for selection and design of successful physical, chemical or biological environmental remediation processes. This chapter summarizes physicochemical properties relevant to distribution of select explosive components in the three environmental matrices namely, soil, water and air. Physicochemical properties including melting point (MP), boiling point (BP), aqueous solubility (Sw), water-octanol partition coefficient (KOC), Henry’s law constant (KH), vapor pressure (VP) and enthalpy of vaporization (ΔH) obtained from literature using model predictions and experimental studies are listed for a total of 16 energetic compounds. The explosive compounds included are dinitroanisole (DNAN), n-methyl-p-nitroaniline (MNA), nitro-triazolone (NTO), triaminotrinitrobenzene (TATB), cyclotetramethylene-tetranitramine (HMX), cyclotrimethylene-trinitramine (RDX), trinitrotoluene (TNT), Chinalake-20 (CL-20), Diamino-Dinitroethylene (DADE), 1,3,3-Trinitroazetidine (TNAZ), Pentaerythritol tetranitrate (PETN), 2,4-Dinitrophenol (DNP), 1-Methyl-2,4,5-trinitroimidazole (MTNI), Triacetone Triperoxide (TATP), 2,4,6-trinitrophenyl-N-methylnitramine (TETRYL), and Bis (2,2,2-trinitroethyl)-3,6-diaminotetrazine (BTAT). The prediction models considered are limited to the EPI suite, SPARC and group contribution and COSMOtherm. Results of model predictions are compared with available experimental data. This chapter is not an exhaustive review of all available literature data.