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

Hydrophobic-Hydrophilic Solvation of Variously Substituted N-Alkylureas in Aqueous Solution: A Calorimetric Study at a Temperature of 298.15 K

Della Gatta, G.[Giuseppe], Badea, E.[Elena]
J. Chem. Eng. Data 2009, 54, 9, 2739-2744
ABSTRACT
Enthalpies of solution, ?solHm, in water, of some di-, tri-, and tetra-substituted N-alkylureas were measured by isothermal calorimetry at T = (296.84, 306.89, and 316.95) K. The molar enthalpies of solution at infinite dilution (i.d.), ?solHm8, and molar heat capacity changes for the solution process at i.d., ?solCp,m8, were obtained at T = 298.15 K. Molar enthalpies of solvation, ?solvHm8, and partial molar heat capacities, Cp,28, at i.d. were then calculated from the molar enthalpies of sublimation or vaporization and molar heat capacities, Cp,m, of pure compounds in solid or liquid states, respectively. The methylene group contributions to the enthalpy of solvation was -3.7 kJ*mol-1 for di- and tri-N-alkylureas and -3.2 kJ*mol-1 for tetra-N-alkyureas, whereas the contribution to partial molar heat capacity was 91 J*K-1*mol-1 and 93 J*K-1*mol-1, respectively, in very good agreement with our earlier data for monosubstituted N-alkylureas and the literature data for various homologous series of alkyl-substituted compounds. Contributions of the functional groups of N-alkylureas were derived and compared with our earlier data for mono-N-alkylureas.
Compounds
# Formula Name
1 C3H8N2O N,N-dimethylurea
2 C5H12N2O 1,1-diethylurea
3 C3H8N2O 1,3-dimethylurea
4 C5H12N2O 1,3-diethylurea
5 C5H12N2O tetramethylurea
6 C4H10N2O N,N,N'-trimethylurea
7 C9H20N2O N,N,N',N'-tetraethylurea
8 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
  • 8
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 15
  • POMD
  • 2
  • 8
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 15
  • POMD
  • 3
  • 8
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FLOW:UFactor:6
  • 14
  • POMD
  • 4
  • 8
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FLOW:UFactor:6
  • 12
  • POMD
  • 5
  • 8
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 14
  • POMD
  • 6
  • 8
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 6; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FLOW:UFactor:6
  • 14
  • POMD
  • 7
  • 8
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Molality, mol/kg - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • FLOW:UFactor:4
  • 13