Thermodynamic study of the sublimation of six aminomethylbenzoic acids

Monte, Manuel J.S.; Hillesheim, Dorothea M.

doi:10.1006/jcht.2000.0774

Cited by 13 publications

(20 citation statements)

References 9 publications

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“…The present work is a continuation of a thermodynamic study of our laboratory on the sublimation of several substituted benzoic acids recently published [1][2][3][4], which included the fluorobenzoic and iodobenzoic acids [1]. In order to study the influence of the halogen substituent on the volatility of the different halobenzoic acids, it was decided to extend the previous study to the three chlorobenzoic and to the three bromobenzoic acids for which vapour pressure-temperature data were not known.…”

Section: Introductionmentioning

confidence: 98%

Thermodynamic study of the sublimation of six halobenzoic acids

Silva

Fonseca

Carvalho

et al. 2005

The Journal of Chemical Thermodynamics

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Section: Introductionmentioning

confidence: 98%

Thermodynamic study of the sublimation of six halobenzoic acids

Silva

Fonseca

Carvalho

et al. 2005

The Journal of Chemical Thermodynamics

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“… a Take from ref . b Calculated with the Advanced Chemistry Development (ACD/Laboratories) Software V11.02 (©1994–2016 ACD/Laboratories). c Taken from ref . d High-performance liquid phase chromatograph. e Gas chromatography. …”

Section: Methodsmentioning

confidence: 99%

Solubility, Model Correlation, and Solvent Effect of 2-Amino-3-methylbenzoic Acid in 12 Pure Solvents

et al. 2019

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In this experiment, the research of solution process for 2-amino-3methylbenzoic acid in different solvents is essential for its purification. The solubility values in pure methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, acetone, acetonitrile, 2butanone, ethyl acetate, 1,4-dioxane, toluene, and cyclohexane were established with the isothermal saturation method at temperatures T = 278.15 to 318.15 K under pressure of 101.2 kPa. The solubility of 2-amino-3-methylbenzoic acid in mole fraction increased with a rise of temperature. Moreover, at a certain temperature, the order of the solubility data from high to low is 1,4-dioxane > acetone > 2-butanone > ethyl acetate > acetonitrile > methanol > ethanol > 1-propanol > 1-butanol > 2-propanol > toluene > cyclohexane. The modified Apelblat equation, λh equation, Wilson model, and NRTL model were used to correlate the experimental data. The values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were not exceeding 4.51 × 10 −4 and 1.87%, respectively. In order to choose the best model for 2-amino-3methylbenzoic acid, the relative applicability of these models was evaluated by Akaike Information Criterion (AIC). Furthermore, solute−solvent and solvent−solvent interactions have been studied. The mixing properties of 2-amino-3methylbenzoic acid were computed. From the analysis results, the mixing process of 2-amino-3-methylbenzoic acid was an endothermic, spontaneous, and entropy-driven process. In particular, purification, recrystallization, and formulation development of 2-amino-3-methylbenzoic acid in the industry were effected by its solubility values.

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“…0.3° values were founded for angles showed that perfect match between the XRD and simulated structure, the exception of the C-O-H bond angle. Consequently, calculations of molecular structure are very successful when considering experimental values are taken in crystal structure while calculated values are taken in vacuum media There is well-known fact that, 2-aminobenzoic acid derivatives show two type transformations which are the proton exchange in dimers (Monte and Hillesheim, 2001) and the rotation of carboxyl acid group (Fleisher et al, 2011). To find energy gap values between these transformations, relaxed potential energy surface scan calculations were performed.…”

Section: Molecular Structurementioning

confidence: 99%

Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid

Yıldırım¹

2018

Bilge International Journal of Science and Technology Research

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Detailed infrared spectrum in gas phase, NMR spectra analyses and theoretical studies of 2-amino-3-methylbenzoic acid were performed with DFT/B3LYP/6-311G+(2d,p) level of method in Gaussian 09W. Ground state molecular geometries of monomeric and dimeric structures were calculated in vacuum and compared to the experimental XRD results. Potential energy surface graphics of the proton transfer and torsional tautomerism process were obtained. Also, HOMA aromaticity chancing graphics were drowned in mentioned process. The IR band assignments and the decompositions of potential energy for each band were done using theoretical calculations. 1 H and 13 C NMR chemical shifts analyses were performed by using GIAO NMR calculations with SCRF solvent model.

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Thermodynamic study of the sublimation of six aminomethylbenzoic acids

Cited by 13 publications

References 9 publications

Thermodynamic study of the sublimation of six halobenzoic acids

Thermodynamic study of the sublimation of six halobenzoic acids

Solubility, Model Correlation, and Solvent Effect of 2-Amino-3-methylbenzoic Acid in 12 Pure Solvents

Infrared and NMR Spectral Analyses and Computational Studies of 2-amino-3-methylbenzoic acid

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