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Determination and Correlation of Solubility of 3,4-Dinitro-1H-pyrazole in Different Pure Solvents from 298.15 K to 338.15 K

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School of Chemical Engineering and Environment, North University of China, Taiyuan 030051, PR China
Oriental Chemical Co., LTD, Xiangyang 441403, PR China
*Tel.:+8613834573816. Fax: +03513922118. E-mail: [email protected]
Cite this: J. Chem. Eng. Data 2016, 61, 7, 2516–2524
Publication Date (Web):July 5, 2016
https://doi.org/10.1021/acs.jced.6b00219
Copyright © 2016 American Chemical Society

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    Abstract

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    The solubilities of 3,4-dinitro-1H-pyrazole (DNP) in different solvents are essential for crystallization and further theoretical studies. In this paper, the solubilities of DNP in six pure solvents were determined in temperatures ranging from 298.15 K to 338.15 K by the dynamic laser monitoring method under atmospheric pressure. The results showed that the solubility of DNP in each tested solvent increases with the increasing temperature. Melting temperature Tm and fusion enthalpy ΔHfus of DNP were determined using differential scanning calorimetry. Solubility data was correlated by the modified Apelblat equation, λh equation, Wilson model and nonrandom two-liquid (NRTL) model, and these results showed that all models can give satisfactory correlation results. Therefore, the experimental data and model parameters would provide essential support for industrial design. Furthermore, on the basis of the NRTL model and solubility data, the dissolution thermodynamic properties, including enthalpy, entropy, and Gibbs energy were determined.

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jced.6b00219.

    • Spectra of 3,4-dinitro-1H-pyrazole (DNP) IR: 3300 cm–l (N–H), 3133 cm–l (C–H), 1552, 1525, 1376, and 1347 cm–l (NO2). MS (EI) m/z (%): 158 ([M+]), 128 [M–N═O]+, 112 [M–NO2]+. 13C NMR ([D6] acetone, 600 MHz): δ = 126.711, 133.100, 148.509 ppm (PDF)

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