Dissociation constants of phenols in methanol–water mixtures

Rosés, Martı́; Rived, Fernando; Bosch, Elisabeth

doi:10.1016/s0021-9673(99)01139-5

Cited by 68 publications

(43 citation statements)

References 28 publications

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“…Rather it is more or less a function of the degree of dissociation of the solute. Similar conclusion has been made by Roses et al [3,10]. In the case of chromatographic capacity factor data, two out of ten molecules whose retention data are listed in Table II are benzene and nitrobenzene and the rest are phenol derivatives.…”

Section: Resultssupporting

confidence: 84%

“…These properties are come from two different sources; one from the macroscopic properties of mixed solvents such as molar volume, density, molar refractivity, volume change upon mixing and another is come from the properties of solutes (such as acidity constant, distribution coefficient and chromatographic retention index) in the mixed solvents. The data compiled from the existing literature [3][4][5]10,33] are listed in Table I.…”

Section: Data Setmentioning

confidence: 99%

“…By using the same data as Katz et al they found the logarithm of the formation constant of MW to be 0.8 on a mole fraction scale. The solutesolvent and solvent-solvent interactions in methanol-water mixtures have also been studied by Roses, Bosch and coworkers using solvatochromic methods [2,[6][7][8][9][10]. They defined and determined the values of preferential solvation parameters for different solute indicators.…”

Section: Introductionmentioning

confidence: 99%

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Characterization and prediction of solute properties in methanol–water association by chemometrics analysis of solvation data

Hemmateenejad

2005

Journal of Chemometrics

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Methanol-water binary mixtures have been characterized as a ternary or quaternary system composed of unassociated methanol (M) and water (W) and one or two methanol-water complex (MW). Identification of the methanol-water association was performed by chemometrics analysis of some solvent-related properties of binary methanol-water mixtures with compositions between 0 and 100% volume percent of methanol. Abstract factor analysis of the solvation data identified three chemical species in the solvent mixtures that can be attributed to the pure methanol and water solvents and a MW association. The stoichiometric molar ratio of the W:M associate was investigated by the multivariate curve resolution-alternative least squares (MCR-ALS) of the solvation data and the resulted concentration profiles of the solvent species implied a 1:1 molar ratio for the M:W association. The equilibrium constant of the formation of the M-W association was determined by MCR-ALS and iterative rank annihilation factor analysis (RAFA) to be equal to 13.72. The solvation data of the pure M-W cluster was calculated by target factor analysis (TFA) procedure. Higher hydrogen-bond basicity and lower hydrogen-bond acidity was obtained for the MW solvent in comparison with both the M and W solvents. The proposed model was employed to calculate the acidity constant and HPLC capacity factors of some solutes in the MW cluster. Interestingly, the solutes were found to be stronger acid in relative to pure methanol and water. Finally, the specific solute-solvent interactions and preferential solvation of the solutes were explained by the nonmodeled solute-related data.

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Section: Resultssupporting

confidence: 84%

Section: Data Setmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Characterization and prediction of solute properties in methanol–water association by chemometrics analysis of solvation data

Hemmateenejad

2005

Journal of Chemometrics

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“…For example, benzylamine and quinine gave shifts of about −0.8 and −0.2 pK a units, respectively (using the s w pH, scale defined further below) in 60% acetonitrile compared with aqueous values. Thus, while related compounds may give similar shifts allowing reliable prediction of the effect of organic solvent [11,15,16], empirical measurements may be required for structurally different solutes.…”

Section: Introductionmentioning

confidence: 99%

Determination of ionisation constants of organic bases in aqueous methanol solutions using capillary electrophoresis

Buckenmaier

McCalley

Euerby

2004

Journal of Chromatography A

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“…The extraction with dichloromethane gave better results and was chosen for further study. Because of the high pK a values of the phenols (i. e., 7.4 -10.6) [14,15], the acceptor phase had to be highly alkaline to ensure dissociated analytes and, therefore, 0.1 M NaOH, 1 M NaOH, and a highly basic phosphate buffer at pH 12.5 were tested as acceptor solutions. Extraction with 1 M NaOH gave the best results and it was chosen as the acceptor solution.…”

Section: Extractionmentioning

confidence: 99%

Determination of phenols in pyrolysis oil by on-line coupled microporous membrane liquid-liquid extraction and multidimensional liquid chromatography

Hyötyläinen¹,

Andersson

Jussila

et al. 2001

J. Sep. Science

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Dissociation constants of phenols in methanol–water mixtures

Cited by 68 publications

References 28 publications

Characterization and prediction of solute properties in methanol–water association by chemometrics analysis of solvation data

Characterization and prediction of solute properties in methanol–water association by chemometrics analysis of solvation data

Determination of ionisation constants of organic bases in aqueous methanol solutions using capillary electrophoresis

Determination of phenols in pyrolysis oil by on-line coupled microporous membrane liquid-liquid extraction and multidimensional liquid chromatography

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