Relationship between thermal stability and molecular structure of polynitro arenes

61-64A simple relationship has been derived to predict thermal stability of CHNO polynitro arenes on the basis of onsets of thermal decomposition, which can be obtained by means of non-isothermal differential thermal analysis (DTA). The model is optimized using a set of 12 polynitro arenes so that R-squared value or the coefficient of determination of the new correlation is 0.95. The new correlation has also been applied to 6 polynitro arenes explosives from a variety of chemical families in order to assess the predictive capability of new method. Predicted results are close to the measured values for all of tested polynitro arenes on the basis DTA