Category: 111-87-5

Vilela, Ailyn de Oliveira published the artcileHeadspace solid-phase microextraction: validation of the method and determination of allyl isothiocyanate persistence in cowpea beans, Formula: C8H18O, the main research area is headspace solid microextraction allyl isothiocyanate cowpea GC.

Essential oils are widely recognized as an efficient and safe alternative for controlling pests in foods. However, a few studies have determined the persistence of these compounds in stored grains. The present study optimized and validated a fast and effective method for extraction and quantification of allyl isothiocyanate (AITC-the main component of mustard essential oil) residue in cowpea beans. It also investigated the persistence of this substance in the grains. The proposed method employs headspace solid-phase microextraction (HS-SPME) and gas chromatog. with a flame ionization detector (GC/FID). For optimizing it, a central composite design (CCD) was used, where the best conditions for the extraction of the AITC were achieved using 15 min fiber exposure at 30 °C. The performance of the method was assessed by studying selectivity, linearity, limits of detection (LOD) and quantification (LOQ), precision, and accuracy. The LOD and LOQ for AITC were 0.11 and 0.33 μg kg-1, resp. The determination coefficient (R2) was above 0.99. The relative recovery rate ranged from 108.2 to 114.8%, with an interday coefficient of variation below 9%. After 36 h, no residue was detected in the samples, demonstrating that the AITC has low persistence and can be safely used as a bioinsecticide for grains.

ACS Omega published new progress about Cowpea. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Fujii, Tatsuya published the artcileEffects of process parameters on vanillin partition coefficient in water-supercritical CO2 extraction, HPLC of Formula: 111-87-5, the main research area is vanillin supercritical carbon dioxide water extraction density.

Effects of temperature and pressure on supercritical CO2-water extraction of vanillin from its aqueous solution were investigated using a fast and continuous extraction and separation apparatus developed recently. Experiments were conducted under the temperature of 40-60°C and the pressure of 10.0-24.4 MPa. The partition coefficient of vanillin to supercritical CO2-rich phase decreased with increasing temperature at fixed pressures, while it increased with increasing pressure at fixed temperatures The anal. by va”t Hoff plot suggests that the values of enthalpy and entropy change in the process of mass transfer from water to supercritical CO2 under conditions investigated are constant and neg. This suggests that the partition process is enthalpy driven process, which is same as the mass transfer from water to 1-octanol. The natural logarithm of partition coefficients increased linearly with the natural logarithm of CO2 d. at fixed temperatures Since the natural logarithm of solubilities also increases linearly with the natural logarithm of CO2 d., the behavior of partition coefficient is considered to reflect the variation of vanillin solubility in supercritical CO2, which is also same as the partition process from water to 1-octanol.

Fluid Phase Equilibria published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, HPLC of Formula: 111-87-5.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Henriques, Julcelly Dayara de Oliveira published the artcileFlash point and excess molar volumes of binary mixtures containing d-limonene and alcohol compounds from propanol to dodecanol, Safety of n-Octanol, the main research area is limonene excess molar volume binary mixture propanol dodecanol.

D-limonene is a monoterpene naturally found in citrus peels, especially lemons and oranges, and is responsible for their strong odor. D-Limonene has specific properties that enable its use in various industrial segments such as foods, perfumes, beverages, cosmetics, pharmaceuticals, detergents, soaps, insecticides, disinfectants, fine chems., as a biodegradable solvent, and so on. Among the ways in which limonene can be used, the mixture of d-limonene with alc. compounds has a great application potential, since alc. extracts of citrus essential oils have high solubility in aqueous solutions, reducing the occurrence of oxidation reactions as well as increasing the aromatic resistance of the mixture Thus, in this study, the d. (ρ) and excess molar volume data (VEm) of seven binary mixtures of d-limonene with 1-propanol, 1-butanol, 1-pentanol, 1-hexanol, 1-octanol, 1-decanol and 1-dodecanol were determined at 298.15 K and throughout the whole mole fraction range. The FP exptl. values were compared to FP values calculated using Liaw’s approach and the activity coefficient models UNIQUAC, NRTL, UNIFAC and Ideal, with an average deviation of (0.55, 0.57, 1.43 and 4.02) K, resp. The interaction parameters of the models UNIQUAC and NRTL were thus shown to be well adjusted and provide a better description of the FP behavior than the ideal and UNIFAC models, as expected.

Journal of Chemical Thermodynamics published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Safety of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wang, Hao published the artcileDensities and Viscosities for the Binary Mixtures of n-Nonane with 1-Heptanol, 1-Octanol, 1-Nonanol, and 1-Decanol, Category: alcohols-buliding-blocks, the main research area is density viscosity nonane binary mixture heptanol octanol nonanol decanol.

Densities and viscosities for the binary mixtures of n-nonane/1-heptanol, n-nonane/1-octanol, n-nonane/1-nonanol, and n-nonane/1-decanol were presented in this work. The measurements were carried out using an Anton Paar digital vibrating U-tube densimeter and an Ubbelohde capillary viscometer, and the entire composition range was investigated from 303.15 to 333.15 K at atm. pressure. In addition, the excess molar volumes and viscosity deviations of the mixtures were calculated and discussed. The Redlich-Kister equation was used to correlate the two derived properties. Furthermore, the viscosities of the studied mixtures were fitted to Eyring-type models.

Journal of Chemical & Engineering Data published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Pinto, Camila N. published the artcileViscosities and Densities of Fatty Alcohol Mixtures from 298.15 to 338.15 K: Estimation by Kay’s Rule and Prediction by the UNIFAC-VISCO and GC-UNIMOD Group Contribution Methods, Safety of n-Octanol, the main research area is viscosity density fatty alc mixture Kay; UNIFAC VISCO UNIMOD group.

The phys. properties d. and viscosity of 21 binary mixtures composed of 1-hexanol, 1-heptanol, 1-octanol, 1-nonanol, 1-decanol, 1-undecanol, and 1-dodecanol were determined at temperatures from 298.15 to 338.15 K, stepped by 10 K. Well-known methods, based on the phys. properties of the pure compounds and their compositions in the mixtures, were used to estimate d. (simple form of Kay’s rule) and viscosity (logarithmic form of Kay’s rule). For d. values, the absolute average deviations (AADs) were no higher than 0.06%, when mass fraction was used as the unit of concentration The viscosity calculations resulted in overall AADs from 1.77% (using molar fraction as the unit of concentration) to 1.85% (using mass fraction as the unit of concentration). Addnl., the predictive capability of the UNIFAC-VISCO and GC-UNIMOD models was tested for viscosity. Satisfactory results were found for all the sets of parameters evaluated in the prediction, with AAD values less than 2%, indicating the appropriate application of these models.

Journal of Chemical & Engineering Data published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Safety of n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Fan, Shujie published the artcilePrediction of octanol-water partition coefficients for the SAMPL6- log P molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields, Recommanded Product: n-Octanol, the main research area is octanol water partition mol dynamic; AMBER force field; CHARMM force field; Free energy perturbation; Ligand parametrization; Molecular dynamics; OPLS-AA force field; Octanol-water partition coefficient; Solvation free energy.

All-atom mol. dynamics simulations with stratified alchem. free energy calculations were used to predict the octanol-water partition coefficient log Pow of eleven small mols. as part of the SAMPL6- log P blind prediction challenge using four different force field parametrizations: standard OPLS-AA with transferable charges, OPLS-AA with non-transferable CM1A charges, AMBER/GAFF, and CHARMM/CGenFF. Octanol parameters for OPLS-AA, GAFF and CHARMM were validated by comparing the d. as a function of temperature, the chem. potential, and the hydration free energy to exptl. values. The partition coefficients were calculated from the solvation free energy for the compounds in water and pure (“”dry””) octanol or “”wet”” octanol with 27 mol% water dissolved. Absolute solvation free energies were computed by thermodn. integration (TI) and the multistate Bennett acceptance ratio with uncorrelated samples from data generated by an established protocol using 5-ns windowed alchem. free energy perturbation (FEP) calculations with the Gromacs mol. dynamics package. Equilibration of sets of FEP simulations was quantified by a new measure of convergence based on the anal. of forward and time-reversed trajectories. The accuracy of the log Pow predictions was assessed by descriptive statistical measures such as the root mean square error (RMSE) of the data set compared to the exptl. values. Discarding the first 1 ns of each 5-ns window as an equilibration phase had a large effect on the GAFF data, where it improved the RMSE by up to 0.8 log units, while the effect for other data sets was smaller or marginally worsened the agreement. Overall, CGenFF gave the best prediction with RMSE 1.2 log units, although for only eight mols. because the current CGenFF workflow for Gromacs does not generate files for certain halogen-containing compounds Over all eleven compounds, GAFF gave an RMSE of 1.5. The effect of using a mixed water/octanol solvent slightly decreased the accuracy for CGenFF and GAFF and slightly increased it for OPLS-AA. The GAFF and OPLS-AA results displayed a systematic error where mols. were too hydrophobic whereas CGenFF appeared to be more balanced, at least on this small data set.

Journal of Computer-Aided Molecular Design published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Recommanded Product: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Almasi, Mohammad published the artcileStudy of molecular interactions and preferential solvation in binary mixtures of cyclohexane and (C5-C10) 1-alkanol by Kirkwood-Buff integrals, COA of Formula: C8H18O, the main research area is cyclohexane alkanol binary mixture mol interaction Kirkwood Buff integral.

Mixtures formed by cyclohexane + 1-alkanol have been investigated in the framework of the Kirkwood-Buff theory of solution The alcs. considered are 1-pentanol up to 1-decanol. Data for the Kirkwood-Buff integrals, Gij excess or deficit number of mols. around the central ones, Δnij and coefficients of linear solvation, δij are reported. For solutions with a given cyclohexane, the increase in the -CH2 groups of alcs. chain causes a decrease in G12 by the following sequences: 1-decanol > 1-nonanol > 1-octanol > 1-heptanol > 1-hexanol > 1-pentanol. The comparison of G12 and other calculated parameters for cyclohexane + 1-alkanol mixtures reveals that the interactions between similar mols. are more outstanding and the decrease in the alkyl chain of alcs. leads to the weakening of interactions related to the self-association of 1-alkanol, differences in the free volumes, hydrophobic interactions, and structural changes. These trends are consistent with exptl. data on the excess molar volumes.

Fluid Phase Equilibria published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, COA of Formula: C8H18O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Mirheydari, Seyyedeh Narjes published the artcileVolumetric and acoustic properties of ionic liquid, 1-hexyl-3-methylimidazolium bromide in 1-hexanol, 1-heptanol and 1-octanol at T = (298.15-328.15) K, Recommanded Product: n-Octanol, the main research area is hexyl methylimidazolium bromide ionic liquid volumetric acoustic property.

The d. ρ and speed of sound u of the binary mixtures (1-hexyl-3-methylimidazolium bromide ([HMIm][Br]) + 1-hexanol or 1-heptanol or 1-octanol) were reported at T= (298.15, 308.15, 318.15 and 328.15) K and atm. pressure. Using the exptl.-measured data, the molar volume Vm, excess molar volume , isentropic compressibility κs and isentropic compressibility deviation Δκs were calculated Also, the Jouyban-Acree and Redlich-Kister polynomial equations were used for correlation of (ρ, Vm, u and κs) and ( and Δκs), resp. The obtained percent average relative deviation %ARD and standard deviation σ show that the studied mixtures can be described well by Jouyban-Acree and Redlich-Kister equations, resp.

Physics and Chemistry of Liquids published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Recommanded Product: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Coquelet, Christophe published the artcileDensity and Excess Volume for Four Systems Involving Eugenol and Furan, Recommanded Product: n-Octanol, the main research area is eugenol furan density excess four system.

D. and speed of sound measurements have been performed, at atm. pressure, using an Anton Paar digital vibrating tube densitometer for pure ethanol, 1-octanol, n-hexane, furan and eugenol, from 278.15 to 323.15 K and for the binary mixtures of furan + ethanol, furan + 1-octanol, eugenol + 1-octanol and eugenol + n-hexane from 278.15 to 323.15 K. Excess molar volumes were calculated and compared. The Redlich-Kister correlation was used to correlate the data. In order to identify the most important mol. interaction contributing to the excess molar volume, the Prigogine-Flory-Patterson theory was applied to correlate and predict the excess molar volumes of the mixtures

Journal of Solution Chemistry published new progress about Density. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Recommanded Product: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Zhang, Xuehua published the artcilePropelling microdroplets generated and sustained by liquid-liquid phase separation in confined spaces, Recommanded Product: n-Octanol, the main research area is microdroplets propelling liquid phase separation numerical simulation.

Flow transport in confined spaces is ubiquitous in technol. processes, ranging from separation and purification of pharmaceutical ingredients by microporous membranes and drug delivery in biomedical treatment to chem. and biomass conversion in catalyst-packed reactors and carbon dioxide sequestration. In this work, we suggest a distinct pathway for enhanced liquid transport in a confined space via propelling microdroplets. These microdroplets can form spontaneously from localized liquid-liquid phase separation as a ternary mixture is diluted by a diffusing poor solvent. High speed images reveal how the microdroplets grow, break up and propel rapidly along the solid surface, with a maximal velocity up to ~160μm s-1 , in response to a sharp concentration gradient resulting from phase separation The microdroplet propulsion induces a replenishing flow between the walls of the confined space towards the location of phase separation, which in turn drives the mixture out of equilibrium and leads to a repeating cascade of events. Our findings on the complex and rich phenomena of propelling droplets suggest an effective approach to enhanced flow motion of multicomponent liquid mixtures within confined spaces for time effective separation and smart transport processes.

Soft Matter published new progress about Biomass. 111-87-5 belongs to class alcohols-buliding-blocks, name is n-Octanol, and the molecular formula is C8H18O, Recommanded Product: n-Octanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts