Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Effect of placement of hydroxyl groups in isomeric butanediol on the behaviour of thermophysical and spectroscopic properties of pyrrolidin-2-one

Mehta, S. K., Ram, G.[Ganga], Bhasin, K. K.
J. Chem. Thermodyn. 2005, 37, 8, 791-801
ABSTRACT
The thermophysical parameters, viz. excess molar volume VE, ultrasonic speed u, viscosity g and spectroscopic parameters, viz. IR and 1H NMR have been measured for the mixtures of pyrrolidin-2-one and isomeric butanediol (1,2-, 1,3-, 1,4- and 2,3-BTD) over the whole composition range at 308.15 K. Results indicate that intermolecular interactions for different mixtures increase in the order: 2,3-BTD < 1,2-BTD < 1,3-BTD < 1,4-BTD. The partial and apparent molar quantities QEi , isentropic compressibility KE S excess viscosity gE and excess Gibbs free energies of activation for viscous flow DaG*E have also been estimated and analyzed. The spectroscopic measurements (IR and 1H NMR) confirm that the interaction between unlike molecules takes place through hydroxyl groups of isomeric butanediol. A good agreement is obtained between excess quantities and spectroscopic data.
Compounds
# Formula Name
1 C4H7NO 2-pyrrolidinone
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:4
  • 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
  • VIBTUB:UFactor:4
  • 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
  • 2
  • 1
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 17
  • POMD
  • 2
  • 1
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Pulse-echo method
  • 17
  • POMD
  • 2
  • 1
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • DIRDIL:UFactor:4
  • 38
  • POMD
  • 3
  • 1
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 17
  • POMD
  • 3
  • 1
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Pulse-echo method
  • 17
  • POMD
  • 3
  • 1
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • DIRDIL:UFactor:4
  • 40
  • POMD
  • 4
  • 1
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 16
  • POMD
  • 4
  • 1
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Pulse-echo method
  • 17
  • POMD
  • 4
  • 1
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • DIRDIL:UFactor:4
  • 40
  • POMD
  • 5
  • 1
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 16
  • POMD
  • 5
  • 1
  • Speed of sound, m/s ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Pulse-echo method
  • 16
  • POMD
  • 5
  • 1
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • DIRDIL:UFactor:4
  • 40