Density, Refractive Index, and Speed of Sound at 298.15 K, and Vapor−Liquid Equilibria at 101.3 kPa for Binary Mixtures of Methanol + Ethyl Butyrate and Vinyl Acetate + Ethyl Butyrate

Resa, José M.; González, Cristina; Landaluce, Salomé Ortiz de; Lanz, Juan José

doi:10.1021/je010307t

Cited by 21 publications

(15 citation statements)

References 10 publications

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“…Some mechanical coefficients were obtained from the Tait equation. For the isothermal compressibility (k T ) defined as (8) the final expression is…”

Section: Resultsmentioning

confidence: 99%

PVT Property Measurements for Ethyl Propionate, Ethyl Butyrate, and Ethyl Pentanoate Esters from (298 to 393) K and up to 35 MPa

et al. 2008

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The results of PVT measurements of the liquid phase within the temperature range (298 to 393) K and up to 35 MPa are presented for some aliphatic esters. Measurements were made by means of a vibrating tube densimeter, model DMA 512P from Anton Parr. The calibration of the densimeter was performed with water and n-heptane as reference fluids. The experimental PVT data have been correlated by a Tait equation. This equation gives good results when used to predict the density of the esters using the method proposed by Thomson et al. Isothermal compressibilities, isobaric expansivities, thermal pressure coefficients, and changes in the isobaric heat capacity have been calculated from the Tait equation.

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“…Some mechanical coefficients were obtained from the Tait equation. For the isothermal compressibility (k T ) defined as (8) the final expression is…”

Section: Resultsmentioning

confidence: 99%

PVT Property Measurements for Ethyl Propionate, Ethyl Butyrate, and Ethyl Pentanoate Esters from (298 to 393) K and up to 35 MPa

et al. 2008

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“…From this Table, it can be seen that the experimental values of the density and viscosity are generally in agreement with those from the literature. 1,[4][5][6][7][8][9][10] However, for several viscosity data points, the deviation between experimental and literature data is as high as 0.04 mPa‚s. This deviation is likely due to impurities in the flavor esters that we used.…”

Section: Resultsmentioning

confidence: 99%

Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters

Djojoputro

Ismadji

2005

J. Chem. Eng. Data

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The density and viscosity of several fragrance and flavor esters were measured over a temperature range of (293.15 to 343.15) K. The esters studied were ethyl formate, cis-3-hexenyl formate, ethyl acetate, butyl acetate, isoamyl acetate, hexyl acetate, trans-2-hexenyl acetate, cis-3-hexenyl acetate, ethyl propionate, ethyl butyrate, butyl butyrate, isoamyl butyrate, hexyl butyrate, cis-3-hexenyl isobutyrate, ethyl isovalerate, ethyl 2-methylbutyrate, and ethyl hexanoate. The experimental data were correlated by temperature-dependence equations.

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“…alcohols, esters, alkanes, ethers, ketones, amines, etc. The experimental density data of 271 binary mixtures was collected from the literature − and are reported in Table . The densities of 271 mixtures were reported at various mole fractions resulting in a total of 4679 mixture data points.…”

Section: Methodsmentioning

confidence: 99%

Application of QSPR to Mixtures

Ajmani

Rogers

Barley

et al. 2006

J. Chem. Inf. Model.

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In this paper we report an attempt to apply the QSPR approach for the analysis of data for mixtures. This is an extension of the conventional QSPR approach to the analysis of data for single molecules. The QSPR methodology was applied to a data set of experimental measured density of binary liquid mixtures compiled from the literature. The present study is aimed to develop models to predict the "delta" value of a mixture i.e., deviation of the experimental mixture density (MED) from the ideal, mole-weighted calculated mixture density (MCD). The QSPR was investigated in two perspectives (QMD-I and QMD-II) with respect to the creation of training and test sets. The study resulted in significant ensemble neural network and k-nearest neighbor models having statistical parameters r2, q2(10cv) greater than 0.9, and pred_r2 greater than 0.75. The developed models can be used to predict the delta and hence the density of a new mixture. The QSPR analysis shows the importance of hydrogen bond, polar, shape, and thermodynamic descriptors in determining mixture density, thus aiding in the understanding of molecular interactions important in molecular packing in the mixtures.

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Density, Refractive Index, and Speed of Sound at 298.15 K, and Vapor−Liquid Equilibria at 101.3 kPa for Binary Mixtures of Methanol + Ethyl Butyrate and Vinyl Acetate + Ethyl Butyrate

Cited by 21 publications

References 10 publications

PVT Property Measurements for Ethyl Propionate, Ethyl Butyrate, and Ethyl Pentanoate Esters from (298 to 393) K and up to 35 MPa

PVT Property Measurements for Ethyl Propionate, Ethyl Butyrate, and Ethyl Pentanoate Esters from (298 to 393) K and up to 35 MPa

Density and Viscosity Correlation for Several Common Fragrance and Flavor Esters

Application of QSPR to Mixtures

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