ABSTRACT

In this work the solubility of l-phenylalanine anhydrous and monohydrate forms in pure water, a water + acetone mixture, and a water + ethanol mixture at various temperatures were measured systematically using the gravimetric method as well as predicted using the universal quasichemical (UNIQUAC) model. Generally the solubility increased with the temperature and decreased with an increase in the content of acetone or ethanol in the solvent mixtures. The two forms were found to be enantiotropically related, and the transition temperature was about 308.9 K. Besides, the UNIQUAC model was demonstrated to work well for the prediction of the solubility of this pseudopolymorphic system in water and its binary mixtures with a low content of organic solvent.

Compounds

#	Formula	Name
1	H2O	water
2	C3H6O	acetone
3	C2H6O	ethanol
4	C9H11NO2	L-phenylalanine
5	C9H13NO3	L-phenylalanine hydrate

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	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	4	Triple point temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	4 1	Mass fraction - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal	OTHER::sMethod:Gravimetric method	7
POMD	4 2	Mass fraction - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal	OTHER::sMethod:Gravimetric method	6
POMD	4 3	Mass fraction - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal	OTHER::sMethod:Gravimetric method	6
POMD	1 5	Mass fraction - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal	OTHER::sMethod:Gravimetric method	6
POMD	2 5	Mass fraction - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal	OTHER::sMethod:Gravimetric method	6
POMD	3 5	Mass fraction - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal	OTHER::sMethod:Gravimetric method	6
POMD	4 2 1	Mass fraction - 4 ; Liquid	Temperature, K; Liquid Solvent: Mass fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Crystal	Gravimetric method	42
POMD	4 3 1	Mass fraction - 4 ; Liquid	Temperature, K; Liquid Solvent: Mass fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal	Gravimetric method	42
POMD	2 1 5	Mass fraction - 5 ; Liquid	Temperature, K; Liquid Solvent: Mass fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid Crystal	Gravimetric method	42
POMD	3 1 5	Mass fraction - 5 ; Liquid	Temperature, K; Liquid Solvent: Mass fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal	Gravimetric method	42

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

Solubility of L-Phenylalanine Anhydrous and Monohydrate Forms: Experimental Measurements and Predictions

Lu, J.[Jie], Lin, Q.[Qing], Rohani, S.[Sohrab]

ABSTRACT