Solubility Behavior and Polymorphism of <scp>l</scp>-Arginine <scp>l</scp>-Pyroglutamate in Nine Pure Solvents and a Binary Water + Ethanol System

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The mole fraction solubility data of Boc-L-asparagine in 12 neat solvents, including 9 polar proton solvents (water, methanol, ethanol, n-propanol, i-propanol, n-butanol, i-butanol, s-butanol, and n-pentanol) and 3 polar aprotic solvents (acetone, 2butanone, and acetonitrile) were determined by the static gravimetric method within the temperature range from 283.15 to 323.15 K with an interval of 5 K under an ambient pressure of 98.8 kPa. The main factors influencing the solubility behavior including the molecular structure, polarity, hydrogen bond, and cohesive energy density were investigated. Two mathematical models, i.e., the modified Apelblat model and the Yaws model were used to fit the solubility data. It is found from the results that the modified Apelblat model is better than the Yaws model.

Section: Methodssupporting

confidence: 65%

Solubility Behavior of Boc-l-Asparagine in 12 Individual Solvents from 283.15 to 323.15 K

Guo

Huang

et al. 2021

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“…At the same time, no chemical substances have been further purified. The solubility of TPBTC in 12 solvents was studied via the static gravimetric method, − which has been verified in our previous works. − The experimental equipment and steps of solubility measurement are presented in the Supporting Information. To obtain precise solubility values, each group of measurements was repeated at least three times.…”

Section: Methodsmentioning

confidence: 65%

Solubility and Polymorphism of a HOF Monomer N¹,N³,N⁵-Tris(pyridin-4-yl)benzene-1,3,5-tricarboxamide in 12 Neat Solvents at Temperatures from 283.15 to 323.15 K

Liu

Zhao

et al. 2023

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A gravimetric method is adopted to measure the solid–liquid equilibrium of N 1,N 3,N 5-tris(pyridin-4-yl)benzene-1,3,5-tricarboxamide (TPBTC), a hydrogen-bonded organic framework (HOF) monomer in different solvents (methanol, dichloromethane, isopropanol, n-hexane, acetone, ethanol, 2-butanone, n-butanol, acetonitrile, water, ethyl acetate, and n-propanol). The experiment is carried out at atmospheric pressure, and the experimental temperatures range from 283.15 to 323.15 K. The powder X-ray diffraction analysis was performed on the equilibrium solid-phase characterization of TPBTC in different solvents, and the solid form of solute in equilibrium with different solvents was a mixture of three kinds of crystalline forms and an amorphous form. In the 12 monosolvents, the solubility increased with absolute temperature, and the following order was obtained: 2-butanone > isopropanol > n-propanol > n-butanol > ethyl acetate > acetonitrile > methanol > ethanol > dichloromethane > n-hexane > acetone > water. In the studied temperature range, the maximum and minimum values were recorded for 2-butanone (0.6753 × 10–3 mol/mol at 323.15 K) and water (0.004650 × 10–3 mol/mol at 283.15 K), respectively. The solubility behavior and solvent effects in various solvents were first investigated by the hydrogen bond acceptor tendencies as the main factor then interpreted by solvent polarity, cohesive energy density, and steric effect for some exceptions. In addition, the solid–liquid equilibrium data of TPBTC were correlated with the Yaws model and the Apelblat model. Furthermore, the two thermodynamic models were evaluated using the Akaike Information Criterion and Akaike weights. It can be observed that the Yaws model was more appropriate than the Apelblat model.

“…All chemical substances have not been further purified. The static gravimetric method was used to determine the molar solubility of L -glutamine in selected 12 monosolvents. − To ensure accuracy, each experiment was performed at least three times. The procedure and equipment for this experiment are described in detail in the Supporting Information and have been verified in our previous studies. − The mole fraction solubility of L -glutamine ( x 1 ) can be determined by eq : x 1 = m 1 / M 1 m 1 / M 1 + m 2 / M 2 …”

Section: Methodsmentioning

confidence: 99%

Determination of L-Glutamine Solubility in 12 Pure Solvent Systems from 283.15 to 323.15 K

Liu

Zhao

et al. 2023

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The mole fraction solubility of L-glutamine in 12 pure solvents (methanol, n-propanol, sec-butanol, 2-butanone, ethanol, acetonitrile, n-butanol, ethyl acetate, n-pentanol, water, n-hexane, and isobutanol) was determined by the static gravimetric method at a temperature range of 283.15−323.15 K under a pressure of 98.8 kPa. The equilibrium solid phase of L-glutamine in the solvent systems was characterized by powder X-ray diffraction analysis. The solubility in the 12 monosolvents was found to increase with absolute temperature. The maximum and minimum values were in water and ethyl acetate, respectively. The empirical solvent polarity parameters (E T (30)), cohesive energy density, and hydrogen bond donor/acceptor (HBD/HBA) tendencies were employed to analyze the solubility behavior and solvent effects. The solubility data were fitted using the modified Apelblat model and the Yaws model, at the same time, the model parameters and data deviation values were calculated. These two solubility models were evaluated using the Akaike Information Criteria and Akaike weights. The results showed that the modified Apelblat model had better correlation results. The solubility data could be used in the preparation and optimization of L-glutamine crystallization processes.