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

Physical Properties of Model and Real Systems Composed of Essential Oils and Hydroalcoholic Solvents at 298.2 K and Atmospheric Pressure

Koshima, Cristina C., Goncalves, Daniel, Nakamoto, Karina T., Umeda, Thayla K., Goncalves, Cintia B., Rodrigues, Christianne E. C.
J. Chem. Eng. Data 2019, 64, 5, 1873-1884
ABSTRACT
Densities and viscosities of terpene- and solvent-rich phases from model and real systems composed of synthetic and real essential oils (EOs) and hydrated ethanol were experimentally determined at 298.2 K and local atmospheric pressure. Synthetic EOs were prepared by mixing representatives of terpenes and oxygenated compounds found in clove and allspice EOs, whereas crude bergamot and lavandin EOs were used for the real systems. The highest density values were related to increased oxygenated compounds in the mixture and higher water content in the solvent. Model and real systems revealed distinct viscosity behavior, where higher viscosity values for model systems and lower ones for the real systems were associated to more hydrated solvent. Empirical models were evaluated on their capability to describe the physical properties values for several system compositions. The simple mixing rule in mass fraction exhibited satisfactory results for density, whereas the Andrade equation exhibited lower deviations for viscosity.
Compounds
# Formula Name
1 C15H24 [1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]-4-undecene
2 C10H16 (R)-1-methyl-4-(1-methylethenyl)cyclohexene
3 C10H12O2 2-hydroxy-5-allylanisole
4 C11H14O2 methyleugenol
5 C12H20O2 linalool acetate
6 C10H18O 3,7-dimethyl-1,6-octadien-3-ol
7 C2H6O ethanol
8 H2O water
9 C15H24 (E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene
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
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 6
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 7
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 8
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 8
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 1
  • 9
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 9; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • 9
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 9; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 7
  • 8
  • Mass density, kg/m3 ; Liquid
  • Mass fraction - 8; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 9
  • POMD
  • 7
  • 8
  • Viscosity, Pa*s ; Liquid
  • Mass fraction - 8; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 9