ABSTRACT

The thermodynamic parameters viz. excess molar volume VE and speed of sound u, transport parameter viscosity g, and spectroscopic parameters viz. i.r., 1H and 13C n.m.r. have been determined for the mixtures of a,x-alkanediols (1,2-ethanediol, 1,3-propanediol, and 1,5-pentanediol) and pyrrolidin-2-one over the whole composition range at T = 308.15 K. The partial molar quantities QEi , isentropic compressibility KE S , viscosity deviation Dg, deviation in Gibbs free energies of activation for viscous flow g(x) and excess n.m.r. chemical shift dE have been estimated and analyzed. The results reveal distinctly that the interaction between unlike molecules takes place through hydroxyl groups of a,x-alkanediols and CO group of pyrrolidin-2-one. An excellent correlation between thermodynamic and spectroscopic measurements has been observed.

Compounds

#	Formula	Name
1	C2H6O2	1,2-ethanediol
2	C3H8O2	propan-1,3-diol
3	C5H12O2	1,5-pentanediol
4	C4H7NO	2-pyrrolidinone

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	Vibrating tube method	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	Sing-around technique in a fixed-path interferometer	1
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	CAPTUB:UFactor:4	1
POMD	2	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Sing-around technique in a fixed-path interferometer	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	CAPTUB:UFactor:4	1
POMD	3	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Sing-around technique in a fixed-path interferometer	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	CAPTUB:UFactor:4	1
POMD	4	Speed of sound, m/s ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Sing-around technique in a fixed-path interferometer	1
POMD	1 4	Viscosity, Pa*s ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	CAPTUB:UFactor:4	17
POMD	1 4	Speed of sound, m/s ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	17
POMD	1 4	Excess molar volume, m3/mol ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Direct dilatometry	43
POMD	2 4	Viscosity, Pa*s ; Liquid	Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	CAPTUB:UFactor:4	17
POMD	2 4	Speed of sound, m/s ; Liquid	Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	17
POMD	2 4	Excess molar volume, m3/mol ; Liquid	Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Direct dilatometry	47
POMD	3 4	Viscosity, Pa*s ; Liquid	Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	CAPTUB:UFactor:4	15
POMD	3 4	Speed of sound, m/s ; Liquid	Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Sing-around technique in a fixed-path interferometer	15
POMD	3 4	Excess molar volume, m3/mol ; Liquid	Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Direct dilatometry	35

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Molecular interactions of a,x-alkanediols in pyrrolidin-2-one: Thermophysical and spectroscopic measurements

Mehta, S. K., Ram, G.[Ganga], Bhasin, K. K.

ABSTRACT