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

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 R2 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 R2 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 R2, the PE equation and the Wilson model had the best fitting effect. This work provides basic data for further research on TCDNB.

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Publication Details

Journal
Journal of Chemical & Engineering Data
Published
2025-05-20
DOI
https://doi.org/10.1021/acs.jced.5c00091
Citations
2
Primary Topic
Crystallization and Solubility Studies
Type
article
Field-Weighted Citation Impact
1.04
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article

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

Sha Bai, Jian Yan, Yunzhang Liu, Jianlong Wang et al.
2 citations
Journal of Chemical & Engineering Data
Crystallization and Solubility Studies
1.04
article

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

Sha Bai, Jian Yan, Yunzhang Liu, Jianlong Wang, Lizhen Chen, Xiang Pei, Yan Yumin
article en
2 citations

Abstract

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 R2 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 R2 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 R2, the PE equation and the Wilson model had the best fitting effect. This work provides basic data for further research on TCDNB.

Journal of Chemical & Engineering DataVol. 70(6)
North University of China (CN), Shanxi Provincial Institute of Chemical Industry (China) (CN)
Openalex Percentile: Top 25%
Crystallization and Solubility Studies
1.04
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