Solubility of benzilic acid in select organic solvents at 298.15 K

Experimental solubilities are reported for benzilic acid dissolved in ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol, 2-propanol, 2-butanol, 2-methyl-1-propanol, diethyl ether and methyl tert-butyl ether at 298.15?K. Results of these measurements reveal that the observed solubilities in the nine alcohol solvents fall within a fairly narrow mole fraction range of each other. Benzilic acid is also very soluble in the two ether solvents studied.     

Solubility of Trans-Stilbene in Binary Alcohol + 1-Propanol Solvent Mixtures at 298.2 K

Abstract

Experimental solubilities are reported for trans-stilbene dissolved in six binary alcohol + 1-propanol solvent mixtures at 25°C. The alcohol cosolvents studied were 2-propanol, 1-butanol, 2-butanol, 2-methyl-1-propanol, 1-pentanol and 3-methyl-1-butanol. Results of these measurements are used to test two mathematical representations based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister and Modified Wilson equations. For the six systems studied, the Combined NIBS/Redlich-Kister equation was found to provide the better mathematical representation of the experimental data, with overall average absolute deviations between measured and calculated values being approximately ±0.4%. Slightly larger deviations were noted in the case of the Modified Wilson equation.     

Thermochemical investigations of hydrogen-bonded solutions. Part 11. Expressions for predicting anthracene solubilities in alcohol+alkoxyalcohol mixtures based on mobile order theory

Experimental solubilities are reported for anthracene dissolved in eight binary mixtures containing 2-ethoxyethanol with 1-propanol, 2-propanol, 1-butanol, 2-butanol, 2-methyl-1-propanol, 1-pentanol, 3-methyl-1-butanol and 1-octanol, and also in binary 1-pentanol+2-methoxyethanol and 2-methyl-1-propanol+2-propoxyethanol solvent systems at 25°C. Results of these measurements, combined with previously reported anthracene solubility data in 22 different alcohol +2-alkoxyethanol (2-methoxyethanol, 2-propoxyethanol and 2-butoxyethanol) solvent mixtures, are used to test the limitations and applications of expressions derived from Mobile Order theory. The first predictive expression assumes only formation of homogeneous self-associated hydrogen-bonded species, whereas the second equation includes additional terms to account for heterogeneous complex formation between the dissolved alcohol and 2-alkoxyethanol solvent molecules. Both equations predict the observed anthracene solubilities to within an average absolute deviation of about 3%.     

Solubility of Anthracene in Binary Alcohol + Butyl Acetate Solvent Mixtures at 298.2 K

Abstract

Experimental solubilities are reported for anthracene dissolved in six binary alcohol + butyl acetate solvent mixtures at 25° C. The alcohol cosolvents studied were 1-propanol, 2-propanol, 1-butanol, 2-butanol, 2-methyl-1-propanol and 3-methyl-1-butanol. Results of these measurements are used to test a mathematical representation based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister equation. For the six systems studied, the Combined NIBS/Redlich-Kister equation was found to mathematically describe the experimental data, with overall average absolute deviations between measured and calculated values being approximately\pm 0.6%.     

Solubility of anthracene in binary toluene + alcohol solvent mixtures at 298.15 K

Experimental solubilities are reported for anthracene in eight binary toluene?+?alcohol solvent mixtures at 298.15?K. The alcohol solvents studied were 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 2-propanol, 2-butanol, 2-methyl-1-propanol and 3-methyl-1-butanol. Results of these measurements were used to test a mathematical representation based on the combined nearly ideal binary solvent (NIBS)/Redlich–Kister equation. For the eight systems studied, the combined NIBS/Redlich–Kister equation was found to accurately describe the experimental data, with an average absolute deviation between the measured and back-calculated values being approximately ±0.4%.     

Equilibrium solubility of 6-propyl-2-thiouracil in nine pure solvents: Determination,correlation, Hansen solubility parameter and thermodynamic properties

Investigation upon the solid–liquid equilibrium on solubility data of 6-propyl-2-thiouracil (PLT) in pure organic solvents is essential for separation and purifying in industry process. In this work, PLT solubility in nine neat solvents was experimentally determined at 278.15 K–323.15 K under P = 0.1 MPa. These selected solvents were tetrahydrofuran(THF), acetone, acetonitrile,1-butanol,1-pentanol, 2-butanol, methyl acetate, ethyl acetate,1-propyl acetate, respectively. Experiment results showed that solubility was consistent with temperature and decreased according to the order: THF > acetone>1-butanol≈1-pentanol> 2-butanol > methyl acetate > ethyl acetate>1-propyl acetate > acetonitrile. Solvent effect and Hansen solubility parameter (HSP) were incited to explain dissolution rule on solute. Four thermodynamic models (modi?ed Apelblat model, Van't model, λh model and NRTL model) were adopted to correlate PLT solubility and provide good correlations on basis of RD, ARD and RMSD. In addition, thermodynamic properties (ΔH°, ΔS° and ΔG°) of PLT dissolution process in pure solvents were discussed and proved to be endothermic, entropically driven and non-spontaneous process.     

Solubility of Anthracene in Binary Alcohol + 1-chlorobutane Solvent Mixtures at 298.2 K

Abstract

Experimental solubilities are reported for anthracene dissolved in six binary alcohol + 1-chlorobutane solvent mixtures at 25°C. The alcohol cosolvents studied were 1-propanol, 2-propanol, 1-butanol, 2-butanol, 2-methyl-1-propanol and 3-methyl-1-butanol. Results of these measurements are used to test a mathematical representation based upon the combined Nearly Ideal Binary Solvent (NIBS)/Redlich-Kister equation. For the six systems studied, the Combined NIBS/Redlich-Kister equation was found to mathematically describe the experimental data, with overall average absolute deviations between measured and calculated values being approximately\pm 0.4%.     

Effect of Temperature on Thermophysical Properties of Ethanol + Aliphatic Alcohols (C4–C5) Mixtures

Speeds of sound, densities, and refractive indices of the binary mixtures containing ethanol+(2-methyl-1-propanol, 2-methyl-1-butanol, 1-pentanol, or 3-methyl-1-butanol) were measured at 288.15 ≤ T/K ≤ 323.15 and atmospheric condition in the whole compositional range. The effect of temperature was analyzed by several chemical terms.     

Determination of volatile compounds in wine by gas chromatography-flame ionization detection: comparison between the U.S. Environmental Protection Agency 3sigma approach and Hubaux-Vos calculation of detection limits using ordinary and bivariate least squares

A capillary GC-flame ionization detection (FID) method to determine volatile compounds (ethyl acetate, 1,1-diethoxyethane, methyl alcohol, 1-propanol, 2-methyl-1-propanol, 2-methyl-1-butanol, 3-methyl-1-butanol, 1-butanol, and 2-butanol) in wine was investigated in terms of calculation of detection limits and calibration method. The main objectives were: (1) calculation of regression coefficient parameters by ordinary least-squares (OLS) and bivariate least-squares (BLS) regression models, taking into account errors in both axes; (2) estimation of linear dynamic range (LDR) according to International Conference on Harmonization recommendations; (3) performance evaluation of a method by using three different internal standards (ISs) such as acetonitrile, acetone, and 1-pentanol; (4) evaluation of LODs according to the U.S. Environmental Protection Agency (EPA) 3sigma approach and the Hubaux-Vos (H-V) method; (5) application of H-V theory to a gas chromatographic analytical method and to a food matrix; and (6) accuracy assessment of the method relative to methyl alcohol content through a Unione Italiana Vini (UIV) interlaboratory proficiency test. Calibration curves calculated via BLS and OLS show similar slopes, while intercepts are closer to zero in the first case, independent of the chosen IS. The studied ISs show a substantially equivalent behavior, even though the IS closer to the analyte retention time seems to be more appropriate in terms of LDR and LOD. Results indicate an underestimation of LODs using the EPA 3sigma approach instead of the more realistic H-V method, both with OLS and BLS regression models. Methanol contents compared with UIV average values indicate recovery between 90 and 110%.     

Henry’s law constants and infinite dilution activity coefficients of cis-2-butene,dimethylether, chloroethane,and 1,1-difluoroethane in methanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol,isobutanol, tert-butanol, 1-pentanol, 2-pentanol, 3-pentanol, 2-methyl-1-butanol, 3-methyl-1-butanol,and 2-methyl-2-butanol

Henry’s law constants and infinite dilution activity coefficients of cis-2-butene, dimethylether, chloroethane, and 1,1-difluoroethane in methanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, isobutanol, tert-butanol, 1-pentanol, 2-pentanol, 3-pentanol, 2-methyl-1-butanol, 3-methyl-1-butanol, and 2-methyl-2-butanol in the temperature range of 250 K to 330 K were measured by a gas stripping method and partial molar excess enthalpies were calculated from the activity coefficients. A rigorous formula for evaluating the Henry’s law constants from the gas stripping measurements was used for the data reduction of these highly volatile mixtures. The uncertainty is about 2% for the Henry’s law constants and 3% for the estimated infinite dilution activity coefficients. In the evaluation of the infinite dilution activity coefficients, the nonideality of the solute such as the fugacity coefficient and Poynting correction factor cannot be neglected, especially at higher temperatures. The estimated uncertainty of the infinite dilution activity coefficients includes 1% for nonideality.     

Synergic effects in the extraction of paracetamol from aqueous NaCl solution by the binary mixtures of diethyl ether and low molecular weight primary alcohols

Liquid-liquid extraction of paracetamol from aqueous NaCl solutions was performed with diethyl ether, 1-propanol, 1-butanol, isobutanol, 1-pentanol, and binary mixtures diethyl ether/1-propanol, diethyl ether/1-butanol, and diethyl ether/isobutanol. Among the pure solvents investigated in this study best extraction efficacy was obtained with 1-butanol. Synergic effects in the extraction with binary mixtures was investigated and compared with some other systems used for the extraction of poorly extractable compounds. Results obtained in this study may be of both fundamental and practical importance.     

(Solid + liquid) phase equilibria of binary mixtures containing N-methyl-2-pyrrolidinone and alcohol at atmospheric pressure

The (solid + liquid) equilibria of {N-methyl-2-pyrrolidinone + 1-propanol, or 2-propanol, or 1-butanol, or 2-methyl-1-propanol, or 2-methyl-2-propanol, or 1-pentanol} has been measured by a dynamic method. The experimental results have been correlated using the Wilson, UNIQUAC ASM and two modified NRTL equations. The root-mean-square deviations of the solubility temperatures for all the calculated values vary from (0.5 to 2.1) K and depend on the particular equation used. The specific interaction between the carbonyl group of the NMP molecule and the alcohol has been discussed.     

Solubility Measurements and Prediction of Coenzyme Q10 Solubility in Different Solvent Systems

The solubility of coenzyme Q10 in ethyl acetate, n-hexane, 1-butanol, 1-propanol, 2-propanol and ethanol in the temperature range 270.15–320.15 K, under atmospheric pressure, was measured by a gravimetric method and compared with the data predicted using the conductor like screening model for realistic solvation (COSMO-RS) method. The results show that the solubilities of coenzyme Q10 in the above solvents increase with temperature. The temperature dependences of predicted solubilities were consistent with the experimental data. The experimental data were correlated with the Apelblat equation. At the same temperature, the order of increasing solubility is ethyl acetate > n-hexane > 1-butanol > 1-propanol > 2-propanol > ethanol.     

Kinetics studies of 5-methyl-2-hexanol, 2,2-dimethyl-3-hexanol,and 2,4,4-trimethyl-1-pentanol with chlorine atoms: Photooxidation mechanism of 2,4,4-trimethyl-1-pentanol

The rate constants for the reaction between chlorine atoms and either 5-methyl-2-hexanol, 2,2-dimethyl-3-hexanol, or 2,4,4-trimethyl-1-pentanol at 298 K were determined using the relative method with 2-butanol and 1-pentanol as reference compounds. The values obtained for 5-methyl-2-hexanol, 2,2-dimethyl-3-hexanol, and 2,4,4-trimethyl-1-pentanol (k × 10¹⁰ cm³ molec⁻¹ s⁻¹) were, respectively, (2.64 ± 0.5), (2.72 ± 0.5), and (2.50 ± 0.4), in agreement with the values of the rate constants reported in bibliography for similar alcohols and the values estimated by structure activity relationship methods. The photooxidation products of 2,4,4-trimethyl-1-pentanol initiated by chlorine atoms were identified (formaldehyde, 2-propanone, 2,2-dimethyl propanal, 4,4,-dimethyl-2-pentanone, and 3,3-dimethylbutanal), and the reaction mechanism was determined.     

Effect of Temperature on Thermophysical Properties of Ethanol + Aliphatic Alcohols (C<Subscript>4</Subscript>–C<Subscript>5</Subscript>) Mixtures

Summary. Speeds of sound, densities, and refractive indices of the binary mixtures containing ethanol+(2-methyl-1-propanol, 2-methyl-1-butanol, 1-pentanol, or 3-methyl-1-butanol) were measured at 288.15 ≤ T/K ≤ 323.15 and atmospheric condition in the whole compositional range. The effect of temperature was analyzed by several chemical terms.     

Enzymatic esterification and phase behavior in ionic microemulsions with different alcohols

The esterification of hexanoic acid and 1-pentanol catalyzed by the lipase fromChromobacterium viscosum was studied at 298.2 K using different Winsor systems as reaction medium. The microemulsion systems consisted of brine and alkane stabilized by the anionic surfactant sodium dodecylsulphate and a short-chained alcohol. The alcohol acts both as a reactant and as a part of the reaction medium. Therefore, it is of great fundamental interest to know the phase behavior of the used microemulsion systems. Partial phase diagrams were determined and the efficiency of different alcohols on the transition from a Winsor I system to a Winsor III or a Winsor IV system with bicontinuous structure and further to a Winsor II system was investigated. The investigated alcohols were 2-methyl-1-propanol, 1-butanol, 2-butanol, 2-methyl-1-butanol, 3-methyl-1-butanol, 1-pentanol, 2-pentanol, 3-pentanol, 2-methyl-1-pentanol, 3-methyl-1-pentanol, 4-methyl-1-pentanol, and 1-hexanol. The aqueous medium consisted of 0.5 m NaCl(aq) or a phosphate buffer (pH=7) and the organic medium of octane or 2,2,4-trimethyl pentane. A long alkyl chain of the alcohol or a branching far from the hydroxyl group gives a more efficient cosurfactant and a transition from Winsor I to Winsor III or Winsor IV at lower alcohol contents. In the Winsor III system the yield of 1-pentyl hexanoate is twice as high as the yield in the bicontinuous Winsor IV system.