13 research outputs found
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Solubility of 5-(2-Chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one, 7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one, and 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine in the Mixtures of Poly(ethylene glycol) 600, Ethanol, and Water at a Temperature of 298.2 K
Article on the solubility of 5-(2-chlorophenyl)-7-nitro-1, 3-dihydro-1, 4-benzodiazepin-2-one, 7-chloro-1-methyl-5-phenyl-3H-1, 4-benzodiazepin-2-one, and 6-(2,3-dichlorophenyl)-1, 2, 4,-triazine-3, 5-diamine in the mixtures of poly(ethylene glycol) 600, ethanol, and water at temperature of 298.2 K
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Effects of Different Concentrations of Poly(vinyl pyrrolidone) on the Solubility of Lamotrigine and Diazepam in Ethanol + Water Mixtures at 298.2 K
Article on the effects of different concentrations of poly(vinyl pyrrolidone) on the solubility of lamotrigine and diazepam in ethanol and water mixtures at 298.2 K
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Solubility of Acetaminophen and Ibuprofen in the Mixtures of Polyethylene Glycol 200 or 400 with Ethanol and water and the Density of Solute-Free Mixed Solvents at 298.2 K
Article on the solubility of acetaminophen and ibuprofen in the mixtures of polyethylene glycol 200 or 400 with ethanol and water and the density of solute-free mixed solvents at 298.2 K
Thermodynamic solubility of piroxicam in propylene glycol + water mixtures at 298.2-323.2 K: Data report and modeling
The solubility of piroxicam (66 data points) in binary mixtures of propylene
glycol (PG) + water at six different temperatures which ranged from 298.2 K
to 323.2 K were reported. Three different cosolvency models; Yalkowsky,
Jouyban-Acree and combined version of the Jouyban-Acree model with van’t
Hoff approach, have been used for correlating the reported data. All the
analyses results show the acceptable range of the error percentages
Solubility of clonazepam and diazepam in binary and ternary mixtures of polyethylene glycols 400 or 600, propylene glycol and water at 298.2K - experimental data and modeling
Experimental molar solubilities of clonazepam and diazepam in binary and
ternary mixtures of polyethylene glycols (PEGs) 400 or 600, propylene glycol
(PG) and water (138 data points) along with the density of the saturated
solutions at 298.2K were reported. The Jouyban-Acree model was used to fit
to the measurements for providing a computational method. Employing the
solubilities in the mono-solvents, the measured solubilities in mixed
solvents were back-calculated and the overall mean percentage deviations
(OMPDs) of the model were 16.0 % and 19.2% for diazepam and clonazepam,
respectively. Addition of the Hansen solubility parameters to the model helps
us to train all the data sets (clonazepam and diazepam) at once and the
back-calculated OMPD for this analysis was 19.3%
Solubility Prediction of Solutes in Non-Aqueous Binary Solvent Mixtures
Foi investigada a possibilidade de substituir os parâmetros de Abraham calculados teoricamente pelos parâmetros experimentais, na previsão da solubilidade de solutos não-aquoso em misturas de solventes binários, utilizando-se o modelo de Jouyban-Acree. As solubilidades de 90 conjuntos de dados, coletados a partir da literatura, foram preditas utilizando-se estes parâmetros, os coeficientes de solventes e também as solubilidades de sistemas mono-solventes. A precisão das solubilidades previstas foi avaliada calculando-se a média percentual do desvio (MPD) e também dos desvios percentuais (IPDs) individuais. O MPD global para a análise utilizando os parâmetros de Abraham, experimentais e teóricos, foram os mesmos e <14%. Uma boa distribuição (IPD) foi obtida por estas análises numéricas. Os conjuntos de dados investigados neste trabalho foram coletados a várias temperaturas e os resultados confirmaram a possibilidade de previsão da solubilidade em solventes binários a diferentes temperaturas. Explorou-se a possibilidade de cálculos ab initio nesta previsão utilizando as solubilidades calculadas em sistemas mono-solventes. No entanto, a diferença entre os valores previstos e observados, para os coeficientes dos solventes, aumentou para aproximadamente 60% e 200% quando usou-se gás e água, respectivamente. Estes, são valores muito grandes para várias aplicações de previsão. The possibility of replacing theoretically computed Abraham parameters with the experimental Abraham parameters in solubility prediction of solutes in non-aqueous binary solvent mixtures using the Jouyban-Acree model was investigated. The solubilities of 90 data sets collected from the literature were predicted using their Abraham parameters, the solvent coefficients and also the solubilities in mono-solvent systems. The accuracy of the predicted solubilities was evaluated by calculating the mean percentage deviation (MPD) and also individual percentage deviations (IPDs). The overall MPD for the analysis using experimental and computed Abraham parameters were the same and was < 14%. A favoured IPD distribution was obtained for these numerical analyses. The data sets investigated in this work were collected at various temperatures and the results confirmed the possibility of solubility prediction in binary solvents at various temperatures. We did explore the possibility of ab initio solubility prediction of solutes in binary mixtures using the calculated solubilities in mono-solvent systems, however, the difference between the predicted and observed values increased to ca. 60% for gas-to-solvent coefficients and ca. 200% for waterto-solvent coefficients, which is too large for many predictive applications