Thermodynamics Research Center / ThermoML | Thermochimica Acta

Topological investigations of molecular interactions of binary and ternary mixtures containing tetrahydropyran, o-toluidine and N-methyl formamide

Neeti, Jangra, S. K.[Sunil K.], Yadav, J. S., Dimple, Sharma, V. K.
Thermochim. Acta 2011, 524, 1-2, 92-103
ABSTRACT
The densities ,n speed of sound u, data of o-toluidine (i) + tetrahydropyran (j) + N-methyl formamide (k) and its sub-binary o-toluidine (i) + tetrahydropyran (j); Tetrahydropyran (j) + N-methyl formamide (k); o-toluidine (i) + N-methyl formamide (k) mixtures have been measured over entire mole fraction at 298.15, 303.15 and 308.15 K. The excess molar enthalpies, HE data of o-toluidine(i) + N-methyl formamide(k); Tetrahydropyran(j) + N-methyl formamide(k) binary mixtures have also been measured as a function of composition at 308.15 K. The densities and speeds of sound of binary and ternary mixtures have been utilized to determine their excess molar volumes, VE and excess isentropic compressibilities, . The topology of the constituents (Graph Theory) has been employed to determine VE, HE and eSE data of binary as well as ternary mixtures. It has been observed that the estimated excess properties compare well with their corresponding experimented values.
Compounds
# Formula Name
1 C7H9N 2-methylaniline
2 C5H10O tetrahydropyran
3 C2H5NO N-methylformamide
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
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 4
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 3
  • POMD
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 3
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 3
  • POMD
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 3
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 3
  • POMD
  • 1
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 60
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 60
  • POMD
  • 1
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Drop calorimetry
  • 18
  • POMD
  • 1
  • 3
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 60
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 60
  • POMD
  • 3
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Drop calorimetry
  • 18
  • POMD
  • 3
  • 2
  • Speed of sound, m/s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Sing-around technique in a fixed-path interferometer
  • 60
  • POMD
  • 3
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 60