ABSTRACT

Experimental solubilities of clonazepam, diazepam, lamotrigine, and phenobarbital in binary solvent mixtures of N-methyl-2-pyrrolidone (NMP) + water at 298.2 K were reported. The solubility of clonazepam, diazepam, and lamotrigine was increased with the addition of NMP, and maximum values are in neat NMP. The solubility of phenobarbital was increased with addition of NMP, reached the maximum value, and then decreased with further increase in NMP concentration. The Jouyban-Acree model was fitted to the results of these measurements, and solubilities were back-calculated by employing the solubility data in monosolvents in which the overall mean deviation of the models was 10.7 %.

Compounds

#	Formula	Name
1	C15H10ClN3O3	clonazepam
2	C16H13ClN2O	7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
3	C9H7Cl2N5	lamotrigine
4	C12H12N2O3	5-ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrmidinetrione
5	C5H9NO	N-methylpyrrolidone
6	H2O	water

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 6	Amount concentration (molarity), mol/dm3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid Crystal - 1	SPECTR	1
POMD	1 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	PYCNOM::UFactor:32	1
POMD	5 1	Amount concentration (molarity), mol/dm3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid Crystal - 1	SPECTR	1
POMD	5 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	PYCNOM::UFactor:32	1
POMD	2 6	Amount concentration (molarity), mol/dm3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid Crystal - 2	SPECTR	1
POMD	2 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 2	PYCNOM:UFactor:32	1
POMD	2 5	Amount concentration (molarity), mol/dm3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid Crystal - 2	SPECTR	1
POMD	2 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 2	PYCNOM::UFactor:32	1
POMD	6 3	Amount concentration (molarity), mol/dm3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid Crystal - 3	SPECTR	1
POMD	6 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 3	PYCNOM::UFactor:32	1
POMD	5 3	Amount concentration (molarity), mol/dm3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid Crystal - 3	SPECTR	1
POMD	5 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 3	PYCNOM::UFactor:32	1
POMD	4 6	Amount concentration (molarity), mol/dm3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid Crystal - 4	SPECTR	1
POMD	4 6	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 4	PYCNOM::UFactor:32	1
POMD	4 5	Amount concentration (molarity), mol/dm3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid Crystal - 4	SPECTR	1
POMD	4 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 4	PYCNOM::UFactor:32	1
POMD	5 1 6	Amount concentration (molarity), mol/dm3 - 1 ; Liquid	Solvent: Volume fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	SPECTR	11
POMD	5 1 6	Mass density, kg/m3 ; Liquid	Solvent: Volume fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 1	PYCNOM:UFactor:32	11
POMD	2 5 6	Amount concentration (molarity), mol/dm3 - 2 ; Liquid	Solvent: Volume fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 2	SPECTR	11
POMD	2 5 6	Mass density, kg/m3 ; Liquid	Solvent: Volume fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 2	PYCNOM:UFactor:32	11
POMD	5 6 3	Amount concentration (molarity), mol/dm3 - 3 ; Liquid	Solvent: Volume fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 3	SPECTR	11
POMD	5 6 3	Mass density, kg/m3 ; Liquid	Solvent: Volume fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 3	PYCNOM:UFactor:32	11
POMD	4 5 6	Amount concentration (molarity), mol/dm3 - 4 ; Liquid	Solvent: Volume fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 4	SPECTR	11
POMD	4 5 6	Mass density, kg/m3 ; Liquid	Solvent: Volume fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 4	PYCNOM:UFactor:32	11

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Solubility of Clonazepam, Diazepam, Lamotrigine, and Phenobarbital in N-Methyl-2-pyrrolidone + Water Mixtures at 298.2 K

Shayanfar, A.[Ali], Acree, Jr., W. E.[William E.], Jouyban, A.[Abolghasem]

ABSTRACT