Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

A comparative study of thermophysical and spectroscopic properties in mixtures of isomeric butanediol and N,N-dimethylformamide

Mehta, S. K., Ram, G.[Ganga], Mani, C.[Chander], Bhasin, K. K.
J. Chem. Thermodyn. 2006, 38, 7, 836-848
ABSTRACT
The thermodynamic parameters viz. excess molar volume VE and ultrasonic speed u, transport parameter viscosity g, and spectroscopic parameters viz. IR, 1H, 13C NMR have been measured for the mixtures of isomeric butanediol (1,2-, 1,3-, 1,4- and 2,3-butanediol) and N,N-dimethylformamide over the whole composition range at 308.15 K. The partial molar quantities QEi, isentropic compressibility KE S , deviation in ultrasonic velocity uD, viscosity deviation Dg, deviation in Gibbs energies of activation for viscous flow g(x), and excess NMR chemical shift dE have also been estimated and analyzed. Results show that the interaction between unlike molecules takes place through hydroxyl groups of isomeric butanediol and >CO group of N,N-dimethylformamide. Excellent correlation between thermodynamic and spectroscopic measurements is observed.
Compounds
# Formula Name
1 C3H7NO dimethylformamide
2 C4H10O2 1,2-butanediol
3 C4H10O2 1,3-butanediol
4 C4H10O2 1,4-butanediol
5 C4H10O2 2,3-butanediol
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 1
  • POMD
  • 1
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pulse-echo method
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:8
  • 1
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 1
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pulse-echo method
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 1
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pulse-echo method
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:4
  • 1
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 1
  • POMD
  • 4
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pulse-echo method
  • 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
  • CAPTUB:UFactor:4
  • 1
  • POMD
  • 5
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pulse-echo method
  • 1
  • POMD
  • 1
  • 2
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 10
  • POMD
  • 1
  • 2
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Pulse-echo method
  • 11
  • POMD
  • 1
  • 2
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Direct dilatometry
  • 27
  • POMD
  • 1
  • 3
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 11
  • POMD
  • 1
  • 3
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Pulse-echo method
  • 10
  • POMD
  • 1
  • 3
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Direct dilatometry
  • 31
  • POMD
  • 1
  • 4
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 11
  • POMD
  • 1
  • 4
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Pulse-echo method
  • 8
  • POMD
  • 1
  • 4
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Direct dilatometry
  • 40
  • POMD
  • 1
  • 5
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 11
  • POMD
  • 1
  • 5
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Pulse-echo method
  • 9
  • POMD
  • 1
  • 5
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Direct dilatometry
  • 67