Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Excess molar volumes and excess isentropic compressibilities of mixtures containing lactam, cyclic ethers and cyclic alkanones

Malik, Sunita, Gupta, Heena, Sharma, Vinod Kumar
J. Chem. Thermodyn. 2018, 125, 71-85
ABSTRACT
Measurements of densities, rho, rho123 and speeds of sound, u, u123 of binary 1,3-dioxolane (1) + 1,4-dioxane (2) and ternary 1,3-dioxolane (1) + N-methylpyrrolidi-2-one or 1,4-dioxane (2) + cyclohexanone or cycloheptanone (3) mixtures have been carried out over the entire range of mole fraction at 293.15, 298.15, 303.15, 308.15 K and atmospheric pressure. The excess molar volumes, V12E, V123E and excess isentropic compressiblities, (kappaSE)12, (kappaSE)123 have been determined from experimental data. The V123E and (kappaSE)123 data for 1,3-dioxolane (1) + N-methylpyrrolidin-2-one (2) + cyclohexanone or cycloheptanone (3) and 1,3-dioxolane (1) + 1,4-dioxane (2) + cycloheptanone (3) mixture are negative over entire composition of (1) and (2). While V123E for 1,3-dioxolane (1) + 1,4-dioxane (2) + cyclohexanone (3) are positive across full range of compositions of (1) and (2); the sign and magnitude of (kappaSE)123 values vary with change in composition of the constituent molecules. The V12E, V123E and (kappaSE)12, (kappaSE)123 data have been fitted to Redlich-Kister equation to determine binary, ternary adjustable parameters and standard deviations. The V123E and (kappaSE)123 data have been analyzed in terms of Graph Theory. It has been observed that Graph theory correctly predicts the sign as well as magnitude of V123E and (kappaSE)123 data of the studied ternary mixtures.
Compounds
# Formula Name
1 C3H6O2 1,3-dioxolane
2 C4H8O2 1,4-dioxane
3 C5H9NO N-methylpyrrolidone
4 C6H10O cyclohexanone
5 C7H12O cycloheptanone
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
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 72
  • POMD
  • 1
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 72
  • POMD
  • 1
  • 3
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 128
  • POMD
  • 1
  • 3
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 128
  • POMD
  • 1
  • 3
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 128
  • POMD
  • 1
  • 3
  • 5
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 128
  • POMD
  • 1
  • 2
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 128
  • POMD
  • 1
  • 2
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 128
  • POMD
  • 1
  • 2
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 128
  • POMD
  • 1
  • 2
  • 5
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Frequency, MHz; Liquid
  • Liquid
  • Single path-length method
  • 128