Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Crystal structure and thermochemical properties of n-decylammonium ethyl sulfate (C10H21NH3SO4C2H5)(s)

Zhang, L.-J.[Li-Jun], Di, Y.-Y.[You-Ying], Dou, J.-M.[Jian-Min]
J. Chem. Thermodyn. 2013, 57, 54-58
ABSTRACT
Crystal structure of n-decylammonium ethyl sulfate was determined by X-ray crystallography. Lattice potential energy and molar volume of the solid compound and its anion were respectively obtained. Ionic radius of the anion was calculated from the corresponding effective volume of the anion. Molar enthalpies of dissolution of the compound at different concentrations m /(mol kg 1) were measured by an isoperibol solution reaction calorimeter at T = 298.15 K. According to the Pitzer s electrolyte solution theory, molar enthalpy of dissolution of the compound at infinite dilution (DsolH1m ) was determined to be (21.284 +- 0.042) kJ mol 1, and enthalpy of hydration of the anion SO4C2H5 was calculated to be DH = 340.68 kJ mol 1. The values of apparent relative molar enthalpies (UL) of the title compound and relative partial molar enthalpies (L2 and L1) of the solute and the solvent at different concentrations were derived from experimental values of enthalpies of dissolution of the compound. Finally, enthalpies of hydration of the compound and its anion were calculated by designing a thermochemical cycle in accordance with lattice potential energy and molar enthalpy of dissolution at infinite dilution.
Compounds
# Formula Name
1 C12H29NO4S n-decylammonium ethyl sulfate
2 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
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Molality, mol/kg - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Crystal - 1
  • ISOPERIBOL
  • 15