Determination and Correlation of the Solubility of 1,3,5-Trichloro-2,4-dinitrobenzene in 12 Pure Solvents at Temperatures Ranging from 278.15 to 318.15 K

Résumé fourni par la source

1,3,5-Trichloro-2,4-dinitrobenzene (TCDNB) is an important intermediate for the synthesis of the explosive BTF, and its purity directly affects the synthesis and application of BTF. However, there are few reported data on the solubility of TCDNB in the literature. Considering the importance of solubility data in the refining process of TCDNB, the solubility of TCDNB in 12 pure solvents (methanol, ethanol, n -propanol, n -butanol, dichloromethane, trichloromethane, carbon tetrachloride, 1,2-dichloroethane, acetonitrile, acetone, methyl acetate, and ethyl acetate) was determined using the laser dynamic method within the temperature range of 278.15–318.15 K. The solubility data measured in pure solvents were fitted using the Apelblat equation, Yaws equation, van’t Hoff equation, Wilson model, and polynomial empirical equation. The equations and models fitted to the solubility data of TCDNB had an R 2 mean value of not less than 0.99 and an RMSD close to 0. The RMSD values of the five models were Wilson model (0.1993 × 10 –4 ) > polynomial empirical equation (0.4657 × 10 –3 ) > Apelblat equation (0.9736 × 10 –3 ) > Yaws model (0.9827×10 –3 ) > van’t Hoff equation (0.1986 × 10 –2 ). The fitted R 2 is polynomial empirical (0.9995) > Wilson model (0.9977) > Yaws model (0.9976) > Apelblat equation (0.9976) > van’t Hoff equation (0.9902). Combining RMSD and R 2, the PE equation and the Wilson model had the best fitting effect. This work provides basic data for further research on TCDNB.

Ce résumé expose les affirmations des auteurs. BNTIC ne l’interprète pas comme une validation indépendante des résultats.