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Accurate values of thermophysical properties of toxic chemical compounds over a range of temperatures are essential for understanding their environmental distribution, biotransformation, and development of potential water treatment processes. In this study, the aqueous solubility (s w), octanol–water partition coefficient (K ow), and Henry’s law constant (k H) were measured for an insensitive munitions compound, 2,4-dinitroanisole (DNAN), at the temperatures of (298.15, 308.15, and 318.15) K. The effect of ionic environment on solubility, using electrolytes such as NaCl and CaCl2, was also studied. The data on the thermophysical parameters were correlated using the standard van’t Hoff equation. All three properties exhibited a linear relationship with reciprocal temperature. The enthalpy and entropy of phase transfer were derived from the experimental data.

The nitration of toluene with n-propyl nitrate has been carried out in the presence of H-ZSM-5 as the catalyst. Several H-ZSM-5 catalysts with different Si/Al ratios were investigated to determine the influence of varying Si/Al ratios on the catalytic activity. It was found that high Si/Al ratios enhanced the regioselectivity for the p-nitrotoluene over the ortho isomer under comparable conditions. The best o:m:p product distribution (5:0:95) was achieved using H-ZSM-5 with a Si/Al ratio of 1000. The isolable yield is 54%. In contrast to conventional nitration methods, the product distribution reported in this study is remarkable.

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