ABSTRACT

The thermodynamic parameters viz. excess molar volume VE and speed of sound 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-methyl-2-pyrrolidinone over the whole composition range at 308.15 K. The partial molar quantities QEi , isentropic compressibility KES , viscosity deviation Dg, deviation in Gibbs free energies of activation for viscous flow g(x), and excess NMR chemical shift dE have 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-methyl-2- pyrrolidinone. Excellent agreement between thermodynamic and spectroscopic measurements is observed.

Compounds

#	Formula	Name
1	C5H9NO	N-methylpyrrolidone
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	Vibrating tube method	1
POMD	1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Capillary tube (Ostwald; Ubbelohde) method	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	Vibrating tube method	1
POMD	2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Capillary tube (Ostwald; Ubbelohde) method	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	Vibrating tube method	1
POMD	3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Capillary tube (Ostwald; Ubbelohde) method	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	Vibrating tube method	1
POMD	4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Capillary tube (Ostwald; Ubbelohde) method	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	Capillary tube (Ostwald; Ubbelohde) method	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 - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	13
POMD	2 1	Speed of sound, m/s ; Liquid	Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Pulse-echo method	13
POMD	2 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Direct dilatometry	42
POMD	3 1	Viscosity, Pa*s ; Liquid	Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	13
POMD	3 1	Speed of sound, m/s ; Liquid	Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Pulse-echo method	13
POMD	3 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Direct dilatometry	43
POMD	4 1	Viscosity, Pa*s ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	13
POMD	4 1	Speed of sound, m/s ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Pulse-echo method	13
POMD	4 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Direct dilatometry	38
POMD	5 1	Viscosity, Pa*s ; Liquid	Mole fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	13
POMD	5 1	Speed of sound, m/s ; Liquid	Mole fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Pulse-echo method	13
POMD	5 1	Excess molar volume, m3/mol ; Liquid	Mole fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Direct dilatometry	69

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic, transport, and spectroscopic studies for mixtures of isomeric butanediol and N-methyl-2-pyrrolidinone

Mehta, S. K., Ram, G.[Ganga], Chauhan, R.[Rajat], Bhasin, K. K.

ABSTRACT