Solubility of benorilate in twelve monosolvents: Determination, correlation and COSMO-RS analysis was written by Hu, Weiguo;Shang, Zeren;Wei, Ning;Hou, Baohong;Gong, Junbo;Wang, Yan. And the article was included in Journal of Chemical Thermodynamics in 2021.Safety of 4-Acetamidophenyl 2-acetoxybenzoate The following contents are mentioned in the article:
The solubility of benorilate in twelve monosolvents (methanol, ethanol, n-propanol, isopropanol, Bu alc., isobutanol, Et formate, Et acetate, iso-Pr acetate, Me acetate, acetonitrile and acetone) was determined at temperatures ranging from 278.15 K to 318.15 K using a static method under atm. pressure. The solubility trend of benorilate has two features, one is that the solubility increases with rising temperature, the other is that benorilate generally has larger solubility in dipolar aprotic solvents than in polar protic solvents. Furthermore, three classical thermodn. models (modified Apelblat model, 位h model and NRTL model) were used to correlate these determined solubility data, and modified Apelblat model shows the minor deviation than other models. Moreover, three solution thermodn. parameters of mixing process were analyzed on the basis of NRTL model, and the mixing process was found to be spontaneous and entropy-driven. This work also used COSMO-RS model to predict reasonable solubility data of benorilate with exptl. thermal anal. method and reference solubility method resp. The underlying mechanism of benorilate and solvent mols. in solubility behavior was qual. analyzed by physicochem. properties and sigma profiles of the studied systems. The mol. interaction energies of benorilate in the studied solvents were computed on the basis of COSMO-RS model, and the computed values were also used to quant. analyze interactions in solutions of benorilate. The results obtained by qual. and quant. anal. demonstrate that the solvation of benorilate is a complicated process which is subject to the combined effects of a variety of mol. interactions. This research could provide guidance for the crystallization process optimization of benorilate. This study involved multiple reactions and reactants, such as 4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5Safety of 4-Acetamidophenyl 2-acetoxybenzoate).
4-Acetamidophenyl 2-acetoxybenzoate (cas: 5003-48-5) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Safety of 4-Acetamidophenyl 2-acetoxybenzoate
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics