Month: December 2022

Du, Weibiao published the artcileDensity and viscosity for binary mixtures of methyl decanoate with 1-propanol, 1-butanol, and 1-pentanol, Category: esters-buliding-blocks, the main research area is methyl decanoate propanol butanol pentanol density viscosity molar volume.

In this work, the volumetric and viscometric properties of the mixtures of Me decanoate with 1-propanol, 1-butanol, and 1-pentanol were investigated from 298.15 K to 333.15 K. The d. data of the mixtures were obtained based on the vibrating-tube densimeter, and the kinematic viscosities of the mixtures were measured using the Ubbelohde capillary viscometer. Based on the exptl. data, the excess molar volumes and viscosity deviations were calculated and correlated with the Redlich-Kister equation. In addition, the McAllister four-body model, Frenkel model, Grunberg-Nissan model, and Heric’s model were used to correlate the viscosities of the mixtures

Journal of Molecular Liquids published new progress about Binary mixtures. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Category: esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ramli, Nur Aainaa Syahirah published the artcileStudy of Density, Surface Tension, and Refractive Index of Binary Mixtures Containing Alkyl Levulinate and n-Alcohol from 298.15 to 323.15 K, Product Details of C7H12O3, the main research area is surface tension refractive index binary mixture alkyl levulinate alc.

Alkyl levulinate, prepared from the esterification of levulinic acid and n-alc., has the potential to be used as a fuel additive. Alc. has also been used as an additive in fuel to improve ignition and combustion characteristics to a certain extent. For this reason, the properties of mixtures containing these compounds are of particular interest. Herein, measurements of d. (ρ), surface tension (γ), and refractive index (n) were conducted for three binary mixtures of Me levulinate-methanol (ML-M), Et levulinate-ethanol (EL-E), and Bu levulinate-butanol (BL-B). These properties were measured over the entire range of compositions in 0.1 increments of the molar fraction of the components in the temperature range of T = 298.15-323.15 K and at an atm. pressure of p = 0.1 MPa. The exptl. data were used to calculate the excess and deviation properties, i.e., excess molar volumes (VmΕ), surface tension deviations (Δγ), and molar refraction deviations (ΔR). The VmΕ, Δγ, and ΔR values were fitted to the Redlich-Kister polynomial equation. The VmΕ and ΔR values were neg. for all compositions, whereas Δγ exhibited both neg. and pos. values at different compositions The mol. interactions of the binary mixtures are discussed from these excess and deviation functions. Furthermore, the Jouyban-Acree model was used for the correlation of properties: d., surface tension, and refractive index of the studied mixtures at different temperatures (T = 298.15-323.15 K). The results are expected to provide fundamental data for understanding the properties of alkyl levulinate as a potential bio-based fuel additive.

Journal of Chemical & Engineering Data published new progress about Binary mixtures. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Product Details of C7H12O3.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Xiao, Zuobing published the artcileIdentification of key aromas of Chinese muskmelon and study of their formation mechanisms, Synthetic Route of 140-11-4, the main research area is Chinese muskmelon formation mechanism key aroma identification.

The volatile compounds found in melons (Cucumis melo L.) obtained from three cultivars [Jiashi (JS), Xizhoumi17 (XZM) and Minqin (MQ)] were comprehensively analyzed by gas chromatog.-olfactometry (GC-O), gas chromatog.-mass spectrometry (GC-MS), and GC-flame photometric detection (GC-FPD). The result showed that 46, 45 and 69 volatile compounds were detected in XZM, JS and MQ samples by GC-MS, resp. Besides, 6, 8 and 9 sulfur compounds were detected by GC-FPD, resp. Di-Me sulfide, 1-propanethiol, 3-mercapto-3methylbutanol, 3-methyl-2-buten-1-thiol were detected for the first time in melon. 25 key aroma compounds were identified in MQ muskmelon by omission tests, among which (Z)-6-nonenal, (Z)-6-nonen-1-ol, 3-methylbutanal, 2-methylbutyl acetate, hexanal and Me thioacetate were particularly important. The interaction between three aroma compounds containing nine-carbon straight-chain structure and five thioesters in MQ muskmelon was studied by comparing their olfactory threshold and OAV values. Among the 18 binary mixtures, 8 mixtures showed a synergistic effect, 2 mixtures presented an additive effect, 2 mixtures showed no interaction, 6 mixtures exhibited a masking effect. There is a synergistic effect between (Z)-6-nonenal, (Z)-6-nonen-1-ol and (E, Z)-3,6-nonadien-1-ol, the aroma intensity of the mixture can be predicted by modified vector model.

European Food Research and Technology published new progress about Binary mixtures. 140-11-4 belongs to class esters-buliding-blocks, name is Benzyl acetate, and the molecular formula is C9H10O2, Synthetic Route of 140-11-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Xiao, Zuobing published the artcileIdentification of key aromas of Chinese muskmelon and study of their formation mechanisms, Computed Properties of 111-11-5, the main research area is Chinese muskmelon formation mechanism key aroma identification.

The volatile compounds found in melons (Cucumis melo L.) obtained from three cultivars [Jiashi (JS), Xizhoumi17 (XZM) and Minqin (MQ)] were comprehensively analyzed by gas chromatog.-olfactometry (GC-O), gas chromatog.-mass spectrometry (GC-MS), and GC-flame photometric detection (GC-FPD). The result showed that 46, 45 and 69 volatile compounds were detected in XZM, JS and MQ samples by GC-MS, resp. Besides, 6, 8 and 9 sulfur compounds were detected by GC-FPD, resp. Di-Me sulfide, 1-propanethiol, 3-mercapto-3methylbutanol, 3-methyl-2-buten-1-thiol were detected for the first time in melon. 25 key aroma compounds were identified in MQ muskmelon by omission tests, among which (Z)-6-nonenal, (Z)-6-nonen-1-ol, 3-methylbutanal, 2-methylbutyl acetate, hexanal and Me thioacetate were particularly important. The interaction between three aroma compounds containing nine-carbon straight-chain structure and five thioesters in MQ muskmelon was studied by comparing their olfactory threshold and OAV values. Among the 18 binary mixtures, 8 mixtures showed a synergistic effect, 2 mixtures presented an additive effect, 2 mixtures showed no interaction, 6 mixtures exhibited a masking effect. There is a synergistic effect between (Z)-6-nonenal, (Z)-6-nonen-1-ol and (E, Z)-3,6-nonadien-1-ol, the aroma intensity of the mixture can be predicted by modified vector model.

European Food Research and Technology published new progress about Binary mixtures. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Computed Properties of 111-11-5.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Rani, Manju published the artcileSolid-liquid equilibrium and kinematic viscosity of binary mixture of fatty acid alkyl esters, Quality Control of 110-42-9, the main research area is solid liquid equilibrium kinematic viscosity binary mixture fatty acid.

The separation and recovery of fatty acid alkyl esters (FAAE) is of great significance for various industries. Crystallization is a well-suited separation process for fatty acid mixtures which may be evolved by the understanding of solid-liquid equilibrium (SLE). The SLE and kinematic viscosity (v) at (T=298.15-318.15 K) and (P=0.1 mPa) for binary mixture of FAAE: Me decanoate (1)+ethyl decanoate or Me dodecanoate or Me tetradecanoate (2) has been studied. The deviation in kinematic viscosity (Δv) data was derived using exptl. v data. The measured SLE exhibit general single eutectic point like other organic mixtures The SLE data fit well with universal quasi-chem. (UNIQUAC) equation. The v values were interrelated using different equations recommended by Heric-Brewer, Krishnan-Ladda, and Lulian et al. Theor. estimated values using these empirical equations are in accordance with the exptl. values with percentage standard deviation less than 0.35. The v were also analyzed by means of the McAllister equation. The Δv data were also fitted with the Redlich-Kister polynomial equation. All three binary mixtures showed neg. Δv values.

Korean Journal of Chemical Engineering published new progress about Binary mixtures. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Quality Control of 110-42-9.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Rasulov, Suleiman M. published the artcilePpT and liquid-gas phase transition properties (PS,pS,TS) of binary n-hexane + methyl octanoate mixture near the critical point of pure n-hexane, Recommanded Product: Methyl octanoate, the main research area is hexane methyl octanoate binary mixture liquid gas phase transition.

PρT and phase transition properties (PS,ρS,TS) of the dilute binary mixture of n-hexane + Me octanoate have been studied near the critical point of pure n-hexane (solvent). The measurements were performed along 11 liquid, vapor and near-critical isochores between (39.3 and 621.1) kg·m-3 over a temperature range from (293 to 622) K at pressures up to 17.7 MPa for the fixed concentration of x = 0.088 mol fraction (or 0.05 mass fraction) of Me octanoate. The measurements were made using a constant-volume piezometer technique. The study was concentrated in the single – and two- phase regions near the critical point of pure n-hexane to precisely determine the phase boundary properties (PS,ρS,TS) and the critical property (PC,ρC,TC) data of the mixture The measured critical property data for the mixture were used to study of the isomorphic critical behavior of strongly singular properties such as isothermal compressibility KTX and isobaric heat capacity CPX along the critical isochore and the critical isotherm, i.e., Fisher renormalization (mixture-like behavior) of the critical exponent, -γγ/(1 – α), for strongly singular properties of mixture under study. The measured PρT data were also used to estimate the values of phys. meaningful (theor. important) parameters such as characteristic reduced temperature τ1and d. differences Δρ1 of the mixture We found that KTX and CPX of the studied mixture exhibit pure-like behavior along the critical isochore at temperature above 508.52 K (slightly above the critical temperature of pure n-hexane, 507.44 K) and along the critical isotherm at densities above 279.82 kg·m-3 (above the critical d. of pure n-hexane, 232.8 kg·m-3). The measured data were used to estimate the Krichevskii parameter Kkr,structural (Nexc)and volumetric (Vâˆ?) properties of the dilute mixture near the critical point of pure solvent (n-hexane).

Fluid Phase Equilibria published new progress about Binary mixtures. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Recommanded Product: Methyl octanoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Aitbelale, Rachid published the artcileEffects of 2-Butanol Addition on Waste Cooking Oil Biodiesel Density: An Updated Experimental Measurement and Thermodynamic Modeling Study, Application In Synthesis of 929-77-1, the main research area is butanol cooking oil biodiesel mixture density thermodn modeling EOS.

Biodiesels will become the most popular alternative energy resource to fossil diesels; they can be used alone or blended with an oxygenated additive in any proportion. The properties of biodiesels strongly depend on the type of the fatty acid Me esters (FAME) that compose them. The main objective of the present work is to study the influence of 2-butanol addition on the waste cooking oil biodiesel (WCOB), for this fact, the new exptl. d. data (952 points) of WCOB + 2-butanol binary mixtures over a wide range [seven compositions; 0 â‰?(WCOB) mole fraction x â‰?1] between 0.1 and 140 MPa and 298.15 and 393.15 K are presented. The exptl. data were correlated using Tait and perturbed chain-statistical associating fluid theory (PC-SAFT) equations of state (EoS), to the knowledge, this is the 1st time that d. measurements for the WCOB + 2-butanol mixture are correlated using the famous PC-SAFT EoS. The Tait equation predicts successfully the d. with a global absolute average deviation (AAD) of 0.089%, while the PC-SAFT model correlates well the d. with a very small global AAD of 0.223% in each composition Also, contrary to the Tait equation, the PC-SAFT model can explain some interactions between fluid mols. From the exptl. data, the excess volumes VE were calculated and fitted using the Redlich-Kister equation with a very small global standard deviation of 7.49 × 10-5 cm3/mol, and VE show a pos. and sym. parabolic shape in all composition ranges. Finally, the isobaric thermal expansivity, αp, and the isothermal compressibility, κT, were derived from the Tait equation and their observed trend was as expected.

Journal of Chemical & Engineering Data published new progress about Binary mixtures. 929-77-1 belongs to class esters-buliding-blocks, name is Methyl docosanoate, and the molecular formula is C23H46O2, Application In Synthesis of 929-77-1.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Peng, Qingrui published the artcileEffects of different ligand modifications on catalytic transfer hydrogenation of Lewis acid catalysts: Quantum chemical studies on the case of ZrCl2-Sal(ph)en, Computed Properties of 539-88-8, the main research area is electronic ligand modification catalytic transfer hydrogenation Lewis acid catalyst.

The systematic description of the steric and electronic ligand effects on the reactivity of the catalysts is one of the main goals in homogeneous catalysis. The experiments and mol. modeling calculations were performed to establish the structure-reactivity relationship with various ligand substituents of ZrCl2-Sal(ph)en-X (X = H, CH3, OCH3, Br, NO2, Cl). A clear linear free-energy relationship (LFER, r2=0.97/0.93) was found between Hammett σp value of the phenoxyl side group substituent X and the rate KX or reaction barrier of the hydrogenation of Et levulinate. Lewis acid sites are stronger in catalysts with an electron-withdrawing group close to the Zr site. In addition, the auxiliary ligands at two axial sites connected to the Zr site have a more significant impact on the catalyst activity. Among the three axial ligands (Cl, OH and OiPr), the -OH ligand with a smaller size endows addnl. basicity of catalyst, which is beneficial to the activation and dissociation of the hydroxyl group in the 2-propanol at the Lewis acidic sites (Zr4+) and basic sites(O2-), thus increasing the reaction rate of the Meerwein-Ponndorf-Verley (MPV)reaction of Et levulinate.

Journal of the Taiwan Institute of Chemical Engineers published new progress about Basicity, Lewis. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Computed Properties of 539-88-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Shao, Yuewen published the artcileCopper-based catalysts with tunable acidic and basic sites for the selective conversion of levulinic acid/ester to γ-valerolactone or 1,4-pentanediol, Application In Synthesis of 539-88-8, the main research area is valerolactone pentanediol preparation ethyl levulinate copper catalytic hydrogenolysis.

γ-Valerolactone (GVL) and 1,4-pentanediol (1,4-PDO) are value-added chems. that can be produced from levulinic acid/ester via hydrogenation coupled with acid/base-catalyzed reactions. In this study, we demonstrate that the Cu-based catalysts produced via the hydrotalcite precursors with tunable distribution of acidic and basic sites could, according to the requirement of the target products, effectively tune the production of GVL or to 1,4-PDO from levulinic acid/ester. The abundant Bronsted acid sites over the CuAl catalyst suppressed the opening of the ring of GVL, achieving a higher GVL selectivity while inhibiting 1,4-PDO formation. The introduction of Mg species to the catalyst significantly increased the abundance of the basic sites on the surface of the catalyst, which was essential for the selective conversion of GVL to 1,4-PDO via the opening of the ring structure of GVL, the rate-determining step in the conversion from levulinic acid/ester to 1,4-PDO. In addition, the CuMgAl catalyst showed a much superior catalytic stability to the CuMg or CuAl catalyst due to the more stable crystal structure, the more developed porous structure, the higher dispersion of the Cu species and the higher capability to suppress the growth of metallic Cu species under hydrothermal conditions.

Green Chemistry published new progress about Basicity, Lewis. 539-88-8 belongs to class esters-buliding-blocks, name is Ethyl 4-oxopentanoate, and the molecular formula is C7H12O3, Application In Synthesis of 539-88-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Taghizadehfard, Mahsa published the artcileViscosity modeling of fatty acid esters and biodiesels based on friction theory and perturbed hard-dimer-chain equation of state, Application of Methyl octanoate, the main research area is fatty acid ester biodiesel friction theory viscosity PHDC EOS.

This work deals with the modeling of dynamic viscosities of several fatty acid esters (FAEs) and biodiesels based on the friction theory (FT) along with a perturbed hard-dimer-chain equation of state (PHDC EOS). The model used three mol. parameters (ε, σ, m) and liquid d. as well, all of which were estimated from the PHDC EOS. The PHDC EOS could predict the d. and isothermal compressibility coefficients in 278.15-393.15 K range and pressures up to 210 MPa with the average absolute relative deviations (AARDs) of 0.52% and 4.77%, resp. Then, the proposed FT-based model has been employed for predicting the dynamic viscosities of several FAEs and biodiesels in 293.15-393.15 K and pressures up to 200 MPa. The model predicted 892 exptl. data points for dynamic viscosities of 10 FAEs and 3 biodiesels with the AARD of 1.70%. Further, the degree of accuracy of proposed model has also been compared with some semi-theor. and empirical approaches. Our comparison results revealed the superiority of the proposed model against the literature approaches.

Journal of Molecular Liquids published new progress about Avogadro number. 111-11-5 belongs to class esters-buliding-blocks, name is Methyl octanoate, and the molecular formula is C9H18O2, Application of Methyl octanoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics