Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamic investigation of L-carnitine

Knyazev, A.V., Emel'yanenko, V.N., Shipilova, A.S., Zaitsau, D.H., Smirnova, N.N., Knyazeva, S.S., Gulenova, M.V.
J. Chem. Thermodyn. 2019, 131, 495-502
ABSTRACT
In the present work temperature dependence of heat capacity of l-carnitine has been measured for the first time over the range from 6 K to 346 K by precision adiabatic vacuum calorimetry. Based on the experimental data, the thermodynamic functions of the l-carnitine, namely, the heat capacity , enthalpy Hdeg.(T) - Hdeg.(0), entropy Sdeg.(T) - Sdeg.(0) and Gibbs function Gdeg.(T) - Hdeg.(0) have been determined for the range from T -greater than 0 to 350 K. The value of the fractal dimension D in the function of multifractal generalization of Debye's theory of the heat capacity of solids was estimated and the character of heterodynamics of structure was detected. Enthalpy of combustion (-4142.1 +- 2.3) kJ mol-1 of the l-carnitine was measured for the first time using high-precision combustion calorimeter. The standard molar enthalpy of formation in the crystalline state (-756.2 +- 2.5) kJ mol-1 of l-carnitine at 298.15 K was derived from the combustion experiments. Using combination of the adiabatic and combustion calorimetry results the thermodynamic functions of formation of the l-carnitine at T = 298.15 K and p = 0.1 MPa have been calculated. The low-temperature X-ray diffraction was used for the determination of coefficients of thermal expansion.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 N2 nitrogen
3 H2O water
4 O2 oxygen
5 C7H15NO3 (R)-3-hydroxy-4-(trimethylammonio)butanoate
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 vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Derived by Second law
  • 1
  • POMD
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small (less than 1 g) adiabatic calorimetry
  • 146
  • POMD
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small (less than 1 g) adiabatic calorimetry
  • 42
  • POMD
  • 5
  • Molar enthalpy, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small (less than 1 g) adiabatic calorimetry
  • 42
  • POMD
  • 5
  • Molar entropy, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small (less than 1 g) adiabatic calorimetry
  • 42
  • POMD
  • 5
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • X-ray diffraction
  • 12
  • RXND
  • 5
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1