Thermodynamics Research Center / ThermoML | Thermochimica Acta

Thermodynamic characteristics of trans-4-hydroxy-L-proline dissolution in some (water +amide) mixtures at T= 298.15 K

Smirnov, V. I., Badelin, V. G.
Thermochim. Acta 2017, 653, 27-31
ABSTRACT
The enthalpies of solution have been determined for 4- hydroxyproline in aqueous solutions of formamide (FA), N-methylformamide (MFA), N, N-dimethylformamide (DMF) and N, N-dimethylacetamide (DMA). The measurements have been made at 298.15 K and mole fraction of amide x2 = (0 to 0.3) on the precise isothermic calorimeter. The results obtained have been used to calculate the standard enthalpies of solution and transfer of 4-hydroxyproline from water into mixtures as well as the enthalpy coefficients of pairwise interaction (hxy) of 4-hydroxyproline with amides in aqueous solution. The interrelation between enthalpy characteristics of dissolution (transfer) of 4-hydroxyproline and the composition of (water+amide) binary mixtures has been established. Contributions of the amides properties (molar volume, dipolarity/polarizability, acidity, and basicity) to the energy of pairwise interactions have been estimated quantitatively by means of a modified Kamlet-Taft equation.
Compounds
# Formula Name
1 C5H9NO3 (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
2 CH3NO formamide
3 C2H5NO N-methylformamide
4 C4H9NO N,N-dimethylethanamide
5 C3H7NO dimethylformamide
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
  • 2
  • 6
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • ISOPERIBOL
  • 12
  • POMD
  • 1
  • 3
  • 6
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • ISOPERIBOL
  • 12
  • POMD
  • 1
  • 4
  • 6
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • ISOPERIBOL
  • 12
  • POMD
  • 1
  • 5
  • 6
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • ISOPERIBOL
  • 12
  • POMD
  • 1
  • 6
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • ISOPERIBOL
  • 1