Solubility of 3,7,9,11-Tetraoxo-2,4,6,8,10-pentaaza[3.3.3] Propellane (TOPAP) in Different Pure Solvents at Temperatures between 273.15 and 318.15 K

N-Acetylglycine solubility in 12 monosolvents (water, methanol, ethanol, n-propanol, i-propanol, n-butanol, ibutanol, s-butanol, n-pentanol, acetone, acetonitrile, and 1,4dioxane) were determined by the static gravimetric method within the temperature range from 283.15 to 333.15 K under an ambient pressure of 98.8 kPa. In the meantime, the binary solvent mixture (methanol + acetonitrile) of different ratios was measured from 283.15 to 323.15 K. Analysis of the neat solvent data showed that the solubility behavior was influenced by the polarity, hydrogen bond, molecular structures, molecular steric hindrance, and so on. The KAT-LSER model was used to perform the multiple linear regression analysis on a pure solvent system to reveal the solvent effect on solubility. When the solvent composition was constant, a positive correlation of N-acetylglycine solubility with experimental temperature was found in all investigated pure and mixed solvent systems. At a given temperature, inflection points were found in the solubility curves for binary solvent systems as the mole fraction of methanol increased, which may be attributed to the cosolvency phenomenon. Six thermodynamic models, including the modified Apelblat, Yaws, Jouyban−Acree, Machatha, Apelblat−Jouyban− Acree, and Apelblat−Machatha models, were employed for fitting the solubility data. Article pubs.acs.org/jced

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“…The Yaws model , is another commonly used empirical model to fit the solubility in pure solvents with the expression as eq . …”

Section: Solubility and Model Calculationmentioning

confidence: 99%

Solubility Determination and Thermodynamic Modeling of N-Acetylglycine in Different Solvent Systems

Guo

Huang

et al. 2021

J. Chem. Eng. Data

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“…The temperature dependence of the solubility of DPPO in selected solvents is represented by the modified Apelblat equation ,− according to eq : with where x is the mole fraction solubility of DPPO and T (K) is the absolute temperature. Δ fus H 1 (J·mol –1 ) denotes the enthalpy change upon the melting of the solute at the its triple point temperature T t1 (K), and Δ fus C p 1 (J·K –1 ·mol –1 ) is the difference between the heat capacities of the solute in the liquid and solid phases.…”

Section: Resultsmentioning

confidence: 99%

Synthesis and Solubility of 5,5-Dimethyl-2-(phenyl(phenylamino)methyl)-1,3,2-dioxaphosphinane 2-oxide in Selected Solvents between 278.15 K and 347.15 K

Zhao

Liu

et al. 2017

J. Chem. Eng. Data

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A flame retardant with enhanced phosphorus−nitrogen content, 5,5-dimethyl-2-(phenyl(phenylamino)methyl)-1,3,2-dioxaphosphinane 2-oxide (DPPO), was synthesized by the reaction of 5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide (DDPO) with N-benzylideneaniline. The structure of DPPO was characterized by nuclear magnetic resonance ( 1 H NMR and 31 P NMR) and Fourier transform infrared (FT-IR) spectroscopy. The thermal stability of DPPO was characterized by thermogravimetric analysis (TGA). The solubilities of DPPO were measured in different solvents including ethyl acetate, methanol, chloroform, acetonitrile, acetone, 1,2dichloroethane, 1,4-dioxane, dichloromethane, tetrachloromethane, benzene, tetrahydrofuran, and isopropanol at temperature ranging from 278.15 to 347.15 K by the gravimetrical method. The mole fraction solubilities of DPPO in the above-mentioned organic solvents were correlated as the Apelblat equation, and the calculated values with equations shows good consistency with the experimental values. The root-mean-square deviation was less than 0.1%, and the average relative error was less than 0.04 in all of the experiments.

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“…Similar to the M-Apel model, the Yaws model , is another semiempirical model for fitting solubility in pure solvents. This model can provide a good correlation between the solubility of the substance in different solvents and the experimental temperature, which is described by eq . To evaluate the fitting level of the solubility models, the average relative deviation (ARD) and root-mean-square deviation (RMSD) were calculated by eqs and , respectively. Additionally, to further evaluate the relative applicability of the two thermodynamic models, the Akaike information criterion (AIC) and Akaike weights (ω i ) − were calculated by eqs –. …”

Section: Model and Calculationmentioning

confidence: 99%

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

Guo

Huang

et al. 2021

J. Chem. Eng. Data

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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.

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Solubility of 3,7,9,11-Tetraoxo-2,4,6,8,10-pentaaza[3.3.3] Propellane (TOPAP) in Different Pure Solvents at Temperatures between 273.15 and 318.15 K

Cited by 14 publications

References 34 publications

Solubility Determination and Thermodynamic Modeling of N-Acetylglycine in Different Solvent Systems

Solubility Determination and Thermodynamic Modeling of N-Acetylglycine in Different Solvent Systems

Synthesis and Solubility of 5,5-Dimethyl-2-(phenyl(phenylamino)methyl)-1,3,2-dioxaphosphinane 2-oxide in Selected Solvents between 278.15 K and 347.15 K

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

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