Effect of beta-alanine and the solvent composition on the solubility of solvate of calcium D-pantothenate containing four molecules of methanol and one molecule of water (D-PC*4MeOH*1H2O)
The solubility of calcium D-pantothenate in (water + methanol) mixtures and the effect of b-alanine on the solubility of calcium D-pantothenate in a constant mole ratio of methanol and water was measured from 263.15 K to 303.15 K by the HPLC analysis method (P = 0.1 MPa). The solubility of calcium D-pantothenate increased with increasing temperature in all the mixtures at constant composition. Besides, it also increased with mole fraction of water in (water + methanol) mixtures at a constant temperature. Additionally, the solubility of calcium D-pantothenate was enhanced by b-alanine at a given temperature. The experimental solubility in (water + methanol) mixtures was correlated by the modified Apelblat equation, the ternary NRTL equation and Solubility-Polarity Model. The Apelblat equation, the quaternary NRTL equation and the Cohn equation were adopted to correlate the experimental solubility in the (water + methanol + b-alanine) mixtures. Worthwhile, the quaternary NRTL equation was first applied to correlating the quaternary solid-liquid equilibrium. It turned out that all the selected models give good performance on solubility prediction.
Compounds
#
Formula
Name
1
C18H32CaN2O10
calcium D-pantothenate
2
CH4O
methanol
3
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.