(457b) Aqueous Solubility, Octanol-Water Partition Coefficients and Carbon Adsorption of 1, 3, 3-Trinitroazetidine (TNAZ)

A high energy explosive component, 1, 3, 3-Trinitroazetine (TNAZ), has the potential to replace TNT and other conventional explosives in various formulations. With a melting point of about 373 K, it is steam-castable (melt-castable) and is also a thermally stable material for up to 500 K. Its physical properties are important to estimate the environmental and toxicological consequences of residuals released from manufacturing, packaging, testing and training operations.  Accurate values of these properties at ambient temperatures are very essential for estimating its environmental distribution, biotransformation, and the development of potential water treatment processes. In this study, the aqueous solubility (Sw) and octanol-water partition coefficient (Kow) were experimentally measured in the temperature range of 288 – 318 K. The experimental results were compared with literature data and predictions using SPARC model. Other physical properties including vapor pressure and Henry’s law constant were also predicted using the SPARC.  Preliminary isothermal adsorption of TNAZ on granular activated carbon (GAC) was also conducted in the above temperature range.  The results show that the aqueous solubility increases with temperature and varies ~400- 1000 mg/L in the temperature range..  Experimental solubility and octanol-water partition coefficients, SPARC predictions, and the results of the GAC adsorption studies will be presented.