ABSTRACT

Apparent molar volumes (V2,.) and viscosity B-coefficients for xanthine drugs (caffeine, theophylline and theobromine) in aqueous (0.09999-0.99989) mol Ekg-1 MgCl2 solutions have been determined from measured densities, I and viscosities, A, respectively at T = (288.15 to 318.15) K and at pressure p = 101.3 kPa. These studies indicate the decrease in solubilization of xanthine drugs with increasing ionic strengths of MgCl2 solutions. The results have also been interpreted in terms of structure making/breaking ability of solutes. Spectroscopic studies also support that hydrophilic-ionic interactions are more at lower concentrations of MgCl2, which descend and finally become weaker at higher concentrations of MgCl2. This type of behavior may also be understood in terms of large dehydration effect.

Compounds

#	Formula	Name
1	C8H10N4O2	caffeine
2	C7H8N4O2	3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
3	C7H8N4O2	1H-purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
4	Cl2Mg	magnesium chloride
5	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	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	4
POMD	5	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	4
POMD	1 4 5	Mass density, kg/m3 ; Liquid	Solvent: Molality, mol/kg - 4; Liquid Molality, mol/kg - 1; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	216
POMD	1 4 5	Viscosity, Pa*s ; Liquid	Solvent: Molality, mol/kg - 4; Liquid Molality, mol/kg - 1; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	216
POMD	2 4 5	Mass density, kg/m3 ; Liquid	Solvent: Molality, mol/kg - 4; Liquid Molality, mol/kg - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	196
POMD	2 4 5	Viscosity, Pa*s ; Liquid	Solvent: Molality, mol/kg - 4; Liquid Molality, mol/kg - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	192
POMD	3 4 5	Mass density, kg/m3 ; Liquid	Solvent: Molality, mol/kg - 4; Liquid Molality, mol/kg - 3; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	192
POMD	3 4 5	Viscosity, Pa*s ; Liquid	Solvent: Molality, mol/kg - 4; Liquid Molality, mol/kg - 3; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	192
POMD	1 5	Mass density, kg/m3 ; Liquid	Molality, mol/kg - 1; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	32
POMD	1 5	Viscosity, Pa*s ; Liquid	Molality, mol/kg - 1; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	32
POMD	4 5	Mass density, kg/m3 ; Liquid	Molality, mol/kg - 4; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	20
POMD	4 5	Viscosity, Pa*s ; Liquid	Molality, mol/kg - 4; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	20
POMD	2 5	Mass density, kg/m3 ; Liquid	Molality, mol/kg - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	36
POMD	2 5	Viscosity, Pa*s ; Liquid	Molality, mol/kg - 2; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	32
POMD	3 5	Mass density, kg/m3 ; Liquid	Molality, mol/kg - 3; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	32
POMD	3 5	Viscosity, Pa*s ; Liquid	Molality, mol/kg - 3; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Capillary tube (Ostwald; Ubbelohde) method	32

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

Volumetric, Viscometric, and 1H NMR Studies on Caffeine, Theophylline, and Theobromine in Aqueous Solutions of MgCl2 at Temperatures T = (288.15 to 318.15) K and at Pressure p = 101.3 kPa

Banipal, Tarlok S., Beri, Aashima, Banipal, Parampaul K.

ABSTRACT