Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Solubility Modeling and Mixing Properties for Benzoin in Different Monosolvents and Solvent Mixtures at the Temperature Range from 273.15 to 313.15 K

Zhu, Yanqing, Cheng, Chao, Chen, Gaoquan, Zhao, Hongkun
J. Chem. Eng. Data 2018, 63, 2, 341-351
ABSTRACT
In the present work, the benzoin solubility in ethanol, methanol, n-propanol, isopropanol, n-butanol, acetone, ethyl acetate, acetonitrile, cyclohexane, butyl acetate, isobutanol and toluene and ethyl acetate + ethanol solvent mixtures was measured by using the static method at the temperature range from 273.15 K to 313.15 K under atmospheric pressure (101.1 kPa). The solubilities in mole fraction increased with increasing temperature and followed the order from high to low in the selected mono-solvents: ethyl acetate greater than acetone greater than butyl acetate greater than (acetonitrile, toluene) greater than methanol greater than ethanol greater than n-propanol greater than n-butanol greater than isobutanol greater than isopropanol greater than cyclohexane; and for the ethyl acetate + ethanol mixture, the mole fraction solubilities of benzoin increased with the increase in temperature and ethyl acetate mass fraction. The obtained solubility of benzoin in neat solvents was correlated with the Apelblat equation, Eh equation, Wilson and NRTL models; and in solvent mixtures of ethyl acetate (w) + ethanol (1-w), with the Jouyban.Acree, van ft Hoff-Jouyban.Acree and Apelblat-Jouyban.Acree models. The largest value of root-mean-square deviation was 4.02 ~10-4, and relative average deviation, 2.36 ~10-2. Furthermore, the mixing enthalpy, mixing Gibbs energy, mixing entropy, activity coefficients under infinitesimal concentration ( 1 A ) and reduced excess enthalpy ( E, 1 H ) were deduced.
Compounds
# Formula Name
1 C14H12O2 .alpha.-hydroxy-.alpha.-phenylacetophenone
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-2-ol
5 C4H10O butan-1-ol
6 C3H6O acetone
7 C4H8O2 ethyl acetate
8 C2H3N acetonitrile
9 C7H8 toluene
10 C6H12 cyclohexane
11 C6H12O2 butyl ethanoate
12 C3H8O propan-1-ol
13 C4H10O 2-methyl-1-propanol
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 7
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 7
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 99