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

Low-Temperature Heat Capacities and Thermodynamic Properties of N-Benzyloxycarbonyl-l-3-phenylalanine (C17H17NO4)

Zhao, J.-N.[Jun-Ning], Sun, L.-X.[Li-Xian], Tan, Z.-C.[Zhi-Cheng]
J. Chem. Eng. Data 2010, 55, 10, 4267-4272
ABSTRACT
The heat capacities of N-benzyloxycarbonyl-l-3-phenylalanine were measured by means of a fully automated adiabatic calorimeter over the temperature range from (79 to 395) K. A solid-liquid phase transition corresponding to the melting process was observed. The temperature, the molar enthalpy, and entropy of the phase transition were determined to be 358.799 K, 31.787 kJ*mol-1, and 88.594 J*K-1*mol-1, respectively. The mole fraction purity of the sample used in the adiabatic calorimetric study was determined to be 0.9830 according to the Van t Hoff equation. Two equations of temperature dependence for heat capacities in the solid and liquid state are presented. The thermodynamic functions, (HT - H298.15K) and (ST - S298.15K), were calculated based on the heat capacity data in the temperature range from (80 to 400) K with an interval of 5 K. The standard molar enthalpies of combustion have been determined to be ?cHm0(C17H17NO4, s) = -(8308.52 +- 3.22) kJ*mol-1, with a precision oxygen-bomb combustion calorimeter at T = 298.15 K. The standard molar enthalpy of formation of the compound has been derived from the enthalpy of combustion, ?fHm0(C17H17NO4, s) = -(815.05 +- 0.67) kJ*mol-1. The thermal stability of the compound was further studied using TG and DSC, and a possible mechanism for thermal decomposition was suggested.
Compounds
# Formula Name
1 C17H17NO4 ((benzyloxy)carbonyl)-L-phenylalanine
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
  • Air at 1 atmosphere
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Vacuum adiabatic calorimetry
  • 90
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vacuum adiabatic calorimetry
  • 12