Experimental and Computational Thermodynamic Properties of (Benzyl Alcohol + Alkanols) Mixtures

Neyband, Razieh Sadat; Yousefi, Amin; Zarei, Hosseinali

doi:10.1021/acs.jced.5b00162

Cited by 26 publications

(10 citation statements)

References 47 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The Table 1, sum up the source and the purity of all chemicals employed in this work. Table 2 shows the comparison of the measured densities, speed of sound and refractive index with reported literatures , which are in good accord with literature values except for 2PhEE with literatures [68] for density and speed of sound where noticeable deviation observed. This is may be due to the "lack" purity of the chemicals, as well as the accuracy of the instrument.…”

Section: Chemicalssupporting

confidence: 85%

Density, speed of sound and refractive index of mixtures containing 2-phenoxyethanol with propanol or butanol at various temperatures

Makhlouf

Muñoz-Rujas

Aguilar

et al. 2019

The Journal of Chemical Thermodynamics

View full text Add to dashboard Cite

In this work, we reported the new experimental data of densities, speeds of sound, and refractive indices for four binary mixtures: {2-phenoxyethanol (2PhEE) + 1-propanol or 2-propanol or 1butanol or 2-butanol) over the entire composition range and at temperatures of (293.15, 303.15, 313.15 and 323.15) K and at pressure p = 0.1 MPa. From these experimental data, thermodynamics properties: excess molar volume, isentropic compressibility, deviation in isentropic compressibility and deviation in refractive indices were calculated. Excess molar volume, deviation in isentropic compressibility and deviation in refractive indices data have been correlated using the Redlich−Kister equation. From the obtained results, a discussion was carried out in terms of nature of intermolecular interactions and structure factors in these binary mixtures.

show abstract

Section: Chemicalssupporting

confidence: 85%

Density, speed of sound and refractive index of mixtures containing 2-phenoxyethanol with propanol or butanol at various temperatures

Makhlouf

Muñoz-Rujas

Aguilar

et al. 2019

The Journal of Chemical Thermodynamics

View full text Add to dashboard Cite

show abstract

“…The relative permittivity ε r is the crucial parameter in the molecular solvent system and it usually can be used to measure the polarity of molecular solvents. In this work, the values of refractive index, n D , molar volume, V m , and Δ l g H m o (298) were collected from the literature, − and according to eqs – δ μ of some molecular solvents were obtained. These are listed in Table , and the corresponding relative permittivity ε r for these molecular solvents were collected − and also listed in Table .…”

Section: Resultsmentioning

confidence: 99%

Determination and Prediction for the Polarity of Ionic Liquids

Guan¹,

Chang²,

Yang³

et al. 2017

J. Chem. Eng. Data

View full text Add to dashboard Cite

Ionic liquids (ILs) have attracted remarkable attention as a new class of novel reaction medium and soft functional materials in the framework of Green Chemistry, and the polarity of ionic liquids is one of the primary concerns in the scientific community. Here, we introduce a new and simple scale of polarity, δ μ , for ILs. Initially, two kinds of representative ionic liquids, {1-alkyl-3-methyllimidazolium acetate}) are prepared and confirmed by 1 H NMR spectroscopy and 13 C NMR spectroscopy, respectively. Furthermore, a spectroscopic method based on solvatochromic probes is used to obtain the polarity of room temperature ILs (RTILs). In this work we mainly introduce that the scale of solvent polarity, E T (30) values, is determined by means of Reichardt's dye (30), and π* values are determined by N,N-diethyl-4-nitroaniline. Simultaneously, in terms of the values of enthalpy of vaporization, δ μ values of these ILs are predicted. Moreover, the trend of δ μ values of the ionic liquids with the different alkyl chains are the same as the E T (30) and π* values. In addition, the new scale of polarities δ μ of some molecular liquids are also predicted, and the results are in good agreement with relative permittivity, ε r .

show abstract

“…The decrease in C P E values with increase in temperature may be associated with a decrease of molecular interactions between Table 3. Binary Adjustable Parameters, X n (X = V or κ S or H or C P ) (n = 0 to 2) of eq 6 with Their Standard Deviations, σ( 1152.3 H (1) 215.9 H (2) 195.5 σ(H E )/J•mol − , H E , and C P E data were next tested in terms of graph theory.…”

Section: Discussionmentioning

confidence: 99%

“…where x 1 is the mole fraction of component (1). The ( 3 ξ i ) (i = 1 or 2); ( 3 ξ i ) m (i = 1 or 2) are connectivity parameters of components 1 and 2 in the pure and mixed state and are defined by…”

Section: Graph Theorymentioning

confidence: 99%

Thermodynamic Studies of Molecular Interactions in Mixtures Containing Tetrahydropyran, 1,4-Dioxane, and Cyclic Ketones

2017

View full text Add to dashboard Cite

The densities ρ, speeds of sound u, and molar heat capacities C P of tetrahydropyran or 1,4-dioxane (1) + cyclohexanone or cycloheptanone (2) mixtures at 293.15, 298.15, 303.15, and 308.15 K, and excess molar enthalpies, H E at 308.15 K and atmospheric pressure 0.1 MPa have been measured over the entire composition range. The excess molar volumes V E, excess isentropic compressibilities κS E, and excess heat capacities, C P E of the studied mixtures have been determined using the measured experimental data. The observed V E, κS E, H E, and C P E data have been tested in terms of graph theory. The analyses of V E data by graph theory suggest that while tetrahydropyran or 1,4-dioxane exists as a mixture of monomer and dimer; cyclohexanone or cycloheptanone exists as a mixture of open and cyclic dimer. Further, (1 + 2) mixtures are characterized by interactions between oxygen atom/s and hydrogen atom of tetrahydropyran or 1,4-dioxane with hydrogen atom/s and oxygen atom of cyclohexanone or cycloheptanone. The quantum mechanical calculations and analysis of IR spectral data of (1 + 2) mixtures also support this viewpoint. It has been observed that graph theory correctly predicts the V E, κS E, H E, and C p E data of the present mixtures.

show abstract

Experimental and Computational Thermodynamic Properties of (Benzyl Alcohol + Alkanols) Mixtures

Cited by 26 publications

References 47 publications

Density, speed of sound and refractive index of mixtures containing 2-phenoxyethanol with propanol or butanol at various temperatures

Density, speed of sound and refractive index of mixtures containing 2-phenoxyethanol with propanol or butanol at various temperatures

Determination and Prediction for the Polarity of Ionic Liquids

Thermodynamic Studies of Molecular Interactions in Mixtures Containing Tetrahydropyran, 1,4-Dioxane, and Cyclic Ketones

Contact Info

Product

Resources

About