Solvent Effects on Chemical Processes, I: Solubility of Aromatic and Heterocyclic Compounds in Binary Aqueous—Organic Solvents

Khossravi, Davar; Connors, Kenneth A.

doi:10.1002/jps.2600810418

Cited by 87 publications

(43 citation statements)

References 42 publications

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“…Further, the RSD values for the repeated experiments from the same laboratory were also high, e.g. 9.2%, 13) 4.4% 14) and 10%. 15) To overcome these limitations, solubility prediction using a minimum number of experimental data could be a reasonable procedure.…”

Section: Solubility Measurementsmentioning

confidence: 92%

Solubility Prediction of Paracetamol in Binary and Ternary Solvent Mixtures Using Jouyban-Acree Model

et al. 2006

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The Jouyban-Acree model has been used to predict the solubility of paracetamol in water-ethanol-propylene glycol binary and ternary mixtures based on model constants computed using a minimum number of solubility data of the solute in water-ethanol, water-propylene glycol and ethanol-propylene glycol binary mixtures. Three data points from each binary solvent system and solubilities in neat solvents were used to calculate the binary interaction parameters of the model. Then the solubility at other binary solvent compositions as well as in a number of ternary solvents were predicted, and the mean percentage deviation (ϮS.D.) of predicted values from experimental solubilities was 7.4(Ϯ6.1)%.

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Section: Solubility Measurementsmentioning

confidence: 92%

Solubility Prediction of Paracetamol in Binary and Ternary Solvent Mixtures Using Jouyban-Acree Model

et al. 2006

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“…A number of mathematical models have been presented for this purpose, and a summary of the models was given in a recent paper. 1 Experimental solubility data of naphthalene have been reported for aqueous mixtures of acetonitrile, methanol, and ethylene glycol, 2 in binary mixtures of benzene and carbon tetrachloride, cyclohexane, ethylbenzene, hexadecane, hexane, and toluene, 3 for binary mixtures of ethyl benzene and carbon tetrachloride, cyclohexane, hexadecane, hexane, and toluene. 4 The solubility data of naphthalene in binary mixtures of carbon tetrachloride and cyclohexane, hexadecane, and hexane, 5 for binary mixtures of toluene and carbon tetrachloride, cyclohexane, hexadecane, and hexane, 4 and also for cyclohexane + hexane, hexadecane + cyclohexane, and hexadecane + hexane 5 have been reported in the literature.…”

Section: Introductionmentioning

confidence: 99%

Naphthalene Solubility in Binary Solvent Mixtures of 2,2,4-Trimethylpentane + Alcohols at 298.15 K

et al. 2008

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The solubility of naphthalene in binary mixtures of 2,2,4-trimethylpentane + C 1 -C 4 alcohols was determined at 298.15 K. The solubility increased with the addition of the alcohols to 2,2,4-trimethylpentane, reached the maximum values, and then decreased with further increase of alcohol concentrations. Results of these measurements were used to evaluate the prediction capability of a previously developed QSPR models employing the solubility data in monosolvents, and the overall mean deviation (OMD) of the models was varied between (6.0 and 19.1) %. Using ab initio prediction methods, the OMDs varied between (27.6 and 30.6) %.

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“…In addition to experimental efforts to collect solubility data in mixed solvents, a number of models have been presented to calculate the solubility including the log-linear of Yalkowsky,1) the extended Hildebrand solubility approach of Martin, 2) the Jouyban-Acree, 3,4) the phenomenological, 5) the modified Wilson, 6) general single 7) and Ruckenstein and Shulgin 8) models. Most of the models have been reviewed in a recent paper and a unified version of the models has been proposed.…”

mentioning

confidence: 99%

Solubility Prediction of Drugs in Water-Polyethylene Glycol 400 Mixtures Using Jouyban-Acree Model

Jouyban

2006

Chem. Pharm. Bull.

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is statistically significant (pϽ0.0005). The proposed method produces acceptable residual distribution and the probability of solubility prediction with residual log of solubility Ͻ0.5 unit is 0.86. The applicability of the proposed method could be extended for predicting the solubility of drugs in water-PEG 400 mixtures at various temperatures. The impact of various log P values computed using different software is also studied and the results of ANOVA revealed that there are no significant differences between the accuracy of the predicted solubilities employing various log P values.

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Solvent Effects on Chemical Processes, I: Solubility of Aromatic and Heterocyclic Compounds in Binary Aqueous—Organic Solvents

Cited by 87 publications

References 42 publications

Solubility Prediction of Paracetamol in Binary and Ternary Solvent Mixtures Using Jouyban-Acree Model

Solubility Prediction of Paracetamol in Binary and Ternary Solvent Mixtures Using Jouyban-Acree Model

Naphthalene Solubility in Binary Solvent Mixtures of 2,2,4-Trimethylpentane + Alcohols at 298.15 K

Solubility Prediction of Drugs in Water-Polyethylene Glycol 400 Mixtures Using Jouyban-Acree Model

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