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

Heat Capacity and Thermodynamic Properties of Sulfonate-Containing Zwitterions

Liu, X.-M.[Xiu-Mei], Zhao, J.-N.[Jun-Ning], Liu, Q.-S.[Qing-Shan], Sun, L.-X.[Li-Xian], Tan, Z.-C.[Zhi-Cheng], Welz-Biermann, U.[Urs]
J. Chem. Eng. Data 2010, 55, 10, 4260-4266
ABSTRACT
Two sulfonate-containing zwitterions, 1-methylimidazolium-3-propylsulfonate zwitterion (MimC3SO3, C7H12N2O3S; CAS 179863-07-1) and 1-methylimidazolium-3-butylsulfonate zwitterion (MimC4SO3, C8H14N2O3S; CAS 148019-49-2), were prepared, and the structures were characterized by 1H NMR and 13C NMR and ESI-MS. The thermodynamic properties are investigated through adiabatic caloremetry (AC), differential scanning calorimetry (DSC), and thermogravimetric (TG) analysis. The low-temperature heat capacity (Cp,m) of MimC3SO3 and MimC4SO3 was measured in the temperature range from (78 to 400) K with a high precision automated calorimeter. The thermodynamic functions [HT - H298.15] and [ST - S298.15] were calculated based on the heat capacity data in the range from (80 to 400) K with an interval of 5 K.
Compounds
# Formula Name
1 C7H12N2O3S 3-(1-methyl-1H-imidazolium-3-yl)propane-1-sulfonate
2 C8H14N2O3S 4-(1-methyl-1H-imidazolium-3-yl)butane-1-sulfonate
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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Gas
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • SMALLAD:UFactor:4
  • 159
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Gas
  • DSC
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • SMALLAD:UFactor:4
  • 160