To realize the rapid solvent screening and further crystallization process optimization, experimental determination of accurate solubility data of target solute in potential solvents is necessary. Using a gravimetric method, solubilities of guanidine nitrate in water, methanol, ethanol, n-propanol and acetone at temperature ranging from 278.05 K to 332.85 K at pressure p = 0.1 MPa were experimentally measured. Melting temperature, Tm, and fusion enthalpy, DHf, of guanidine nitrate were determined using differential scanning calorimetry. Subsequently, Apelblat equation, van t Hoff equation, lh equation, and Wilson model were used to correlate the measured solubility data, respectively. Dissolution of guanidine nitrate in all examined solvents was found to be endothermic and entropically favorable. Moreover, the measured solubility data were combined with calculated ideal solubility data to calculate activity coefficients at infinite dilution based on the assumption of DCp = 0, which were then fitted to a van t Hoff like regular solution equation.
Compounds
#
Formula
Name
1
CH6N4O3
guanidine nitrate
2
CH4O
methanol
3
C2H6O
ethanol
4
C3H8O
propan-1-ol
5
C3H6O
acetone
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
Normal melting temperature, K ; Crystal
Crystal
Liquid
Air at 1 atmosphere
DTA
1
POMD
1
Molar enthalpy of transition or fusion, kJ/mol ; Crystal