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

Determination and Correlation of Solubility and Thermodynamic Properties of trans-Cinnamyl Alcohol in Pure and Binary Solvents from 253.15 K to 293.15 K

Li, Si, Wang, Lingyu, Zhu, Minghe, Han, Dandan, Liu, Ya, Chen, Mingyang, Hou, Jie, Gong, Junbo
J. Chem. Eng. Data 2018, 63, 1, 77-88
ABSTRACT
The solubility of cinnamyl alcohol in eleven pure solvents (methanol, ethanol, n-propanol, isopropanol, n-butyl alcohol, isobutyl alcohol, sec-butyl alcohol, acetone, methyl acetate, ethyl acetate and n-hexane) and two binary solvents of n-hexane + (n-propanol, n-butyl alcohol) was measured by a gravimetric method over temperatures from 253.15 K to 293.15 K at atmosphere pressure. From the experimental results, it was found that the solubility increased with the increasing temperature in all these solvents. The Apelblat model, the eh model and the NRTL model were used to correlate the solubility data of cinnamyl alcohol in pure and mixed solvents. The thermodynamic properties of the mixing process in binary solvents were calculated by the NRTL model. The result indicates that the mixing process of cinnamyl alcohol is endothermic and spontaneous. The experimental solubility provides a good guidance for the subsequent study of crystallization design and crystal morphology of cinnamyl alcohol.
Compounds
# Formula Name
1 C9H10O trans-cinnamyl alcohol
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C4H10O butan-1-ol
7 C4H10O 2-methyl-1-propanol
8 C4H10O butan-2-ol
9 C3H6O acetone
10 C3H6O2 methyl ethanoate
11 C4H8O2 ethyl acetate
12 C6H14 hexane
13 C7H6O3 2-hydroxybenzoic acid
14 C2H4O2 acetic acid
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 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
  • gravimetric
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 4
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 63
  • POMD
  • 1
  • 6
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mass fraction - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 63
  • POMD
  • 13
  • 2
  • Mole fraction - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 13
  • gravimetric
  • 5
  • POMD
  • 13
  • 14
  • Mole fraction - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 13
  • gravimetric
  • 5
  • POMD
  • 13
  • 9
  • Mole fraction - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 13
  • gravimetric
  • 5
  • POMD
  • 13
  • 11
  • Mole fraction - 13 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 13
  • gravimetric
  • 5