The solubilities of benzoic acid and its nitro-derivatives, 3-nitro and 3,5-dinitrobenzoic acids

Abstract

The solubilities of benzoic acid and its nitrated derivatives (3-nitrobenzoic acid and 3,5-dinitrobenzoic acid) in seven pure solvents—water, methanol, ethanol, acetonitrile, dichloromethane, toluene, and ethyl acetate—were determined experimentally over a temperature range from 273.15 K to 323.15 K under 101.3 kPa. The solubility of the above substances in these solvents increased with temperature. The solubility values of benzoic acid in these seven solvents follow the following order: ethanol > ethanol > acetonitrile > ethyl acetate > dichloromethane > toluene > water, while the solubility values of its nitrification derivatives in these seven solvents follow the following order: methanol > ethanol > ethyl acetate > acetonitrile > dichloromethane > toluene > water. The solubility of benzoic acid, 3-nitrobenzoic acid, and 3,5-dinitrobenzoic acid were significantly different in the same solvent. The solubilities obtained are very helpful in improving the recrystallization and yields of 3-nitrobenzoic acid and 3,5-dinitrobenzoic acid.

Kinetic-Bias Model for the Dynamic Simulation of Molecular Aggregation. The Liquid, Solute, Solvated-Nanodrop, and Solvated-Nanocrystal States of Benzoic Acid

“…Because of dispersion in the solvent matrix, monomers are the most common form in solution. This is expected, as the simulated concentration (0.5 M) is far from saturation (the reported solubility of BZA in methanol is 1.9 M) . Nevertheless, a small number of dimers and trimers is present, while cyclic structures are just sparse.…”

“…Densities and cohesive energies agree with the available experiment for these species that were among the calibration standards of the LJC potential scheme. The solute and solvent boxes were merged (Solution) to produce a cubic box containing an undersaturated 19 homogeneous 0.5 M solution. Dynamics were run for ∼190 ps.…”

“…This is expected, as the simulated concentration (0.5 M) is far from saturation (the reported solubility of BZA in methanol is 1.9 M). 19 Nevertheless, a small number of dimers and trimers is present, while cyclic structures are just sparse. In general, the structural differences between biased and unbiased liquid phases are minimal.…”

Cocrystal Phase Diagrams for Systems Formed by Succinic Acid, Fumaric Acid, and Benzoic Acid in Ethanol with Tebuconazole

“…The solubilities of tebuconazole, succinic acid, fumaric acid, and benzoic acid in ethanol determined in this paper and those available from the publications − are graphically shown in Figure S5 in the Supporting Information. The experimental data are basically consistent with the experimental results for the systems tebuconazole + ethanol and fumaric acid + ethanol. , For the systems of succinic acid + ethanol, the solubility data determined in the present contribution agree well with those reported by Mahali and Hu .…”

Triptycene-Based Tripodal Self-Assembled Monolayer on Indium Tin Oxide

“…Whereas the triptycene framework itself is not polar, the CA anchoring group is polar, even though moderately. The dipole moment of each individual blade of Trip-CA can be compared with that of benzoic acid, viz., ∼1.27 D. 76 This dipole is directed toward the phenyl ring for the molecule, decreasing the potential WF of the substrate, but the situation can change at the molecular adsorption, especially for the ITO substrate featuring a variety of adventitious polar groups, which can be affected by the Trip-CA adsorption.…”