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

Thermal Analysis and Calorimetric Study of 4-Dimethylaminopyridine

Shi, Q.[Quan], Tan, Z.-C.[Zhi-Cheng], Di, [You-Ying], Tong, B.[Bo], Li, Y.-S.[Yan-Sheng], Wang, S.-X.[Shao-Xu]
J. Chem. Eng. Data 2007, 52, 3, 941-947
ABSTRACT
4-Dimethylaminopyridine (DMAP) is an important catalyst. The thermodynamic properties of DMAP were investigated through differential scanning calorimetry, thermogravimetric analysis, adiabatic calorimetry, and combustion calorimetry. The low-temperature heat capacity (Cp,m) was measured in the temperature range from (80 to 402) K with a high-precision automated adiabatic calorimeter. The melting temperature (Tm), the molar enthalpy (fusHm), and the entropy (fusSm) of fusion were determined to be (387.094 +- 0.002) K, (21.628 +- 0.144) kJ*mol-1, and (55.873 +- 0.372) J*K-1*mol-1, respectively. The mole fraction purity of the sample used in the adiabatic calorimetric study was determined to be 0.99964 according to the Van't Hoff equation. The thermodynamic functions [HT - H298.15] and [ST - S298.15] were derived in the range from (80 to 400) K with temperature interval of 5 K based on the heat capacity measurements. The constant-volume energy and standard molar enthalpy of combustion have been determined, cU (C7H10N2, cr) = -(4232.20 +- 0.60) kJ*mol-1 and c (C7H10N2, cr) = -(4235.92 +- 0.60) kJ*mol-1, by means of a precision oxygen-bomb combustion calorimeter at T = (298.15 +- 0.001) K. The standard molar enthalpy of formation has been derived, f(C7H10N2, cr) = (52.20 +- 1.71) kJ*mol-1, from the standard molar enthalpy of combustion in combination with other auxiliary thermodynamic quantities through a Hess thermochemical cycle.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 N2 nitrogen
3 H2O water
4 O2 oxygen
5 C7H10N2 4-(dimethylamino)pyridine
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
  • 5
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 5
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Adiabatic calorimetry
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Adiabatic calorimetry
  • 1
  • POMD
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • SMALLAD:UFactor:4
  • 127
  • POMD
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small (less than 1 g) adiabatic calorimetry
  • 15
  • RXND
  • 5
  • 1
  • 2
  • 3
  • 4
  • Molar internal energy of reaction at constant volume, kJ/mol
  • Static bomb calorimetry
  • 1