(D2O-H2O) solvent isotope effects on some thermodynamic properties of the Albicar dissolution (hydration) between T = (278.15 and 313.15) K at ambient pressure
Ivanov, E. V.[Evgeniy V.], Batov, D. V.[Dmitriy V.], Kravchenko, A. N.[Angelina N.]
The molar enthalpies of solution of a drug Albicar or 1,4-diethyl-3,6-dimethyltetrahydroimidazo[4,5-d] imidazole-2,5(1H,3H)-dione in ordinary (H2O) and heavy (D2O) water at T = (278.15, 279.15, 288.15, 298.15, 308.15, and 313.15) K and ambient pressure were measured calorimetrically. The standard (at infinite dilution) molar enthalpies and heat capacities of the solute dissolution along with the (D2O H2O) solvent isotope effects (IEs) on the specified quantities were computed. The enthalpic effects of Albicar dissolution in H2O and D2O experience a negative-to-positive sign inversion nearby Tinv = (306 and 307) K, respectively, whereas the corresponding IEs were found to be wholly negative (by sign) and decreasing in magnitude with increasing temperature. These facts indicate that the Albicar hydration, being dualistic (hydrophobic hydrophilic) in nature, is enhanced in the D2O medium. The hydration behavior of the studied solute was discussed in comparison with those for Mebicar (1,3,4,6-tetramethylderivative) and Bicaret (1,3,4,6-tetraethyl-derivative) using the previously obtained data.
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