Prop-2-enamide

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational213.61kJ mol-1
Total (Trans. + Rot. + Vib.)223.53kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational52.44J mol-1 K-1
Total (Trans. + Rot. + Vib.)85.70J mol-1 K-1
Entropy
PropertyValueUnit
Translational161.91J mol-1 K-1
Rotational105.88J mol-1 K-1
Vibrational43.86J mol-1 K-1
Total (Trans. + Rot. + Vib.)311.66J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-96.73kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 42.91 cm-1 View
  • 2 283.57 cm-1 View
  • 3 429.50 cm-1 View
  • 4 440.15 cm-1 View
  • 5 498.38 cm-1 View
  • 6 573.46 cm-1 View
  • 7 703.07 cm-1 View
  • 8 882.15 cm-1 View
  • 9 913.62 cm-1 View
  • 10 962.21 cm-1 View
  • 11 1030.84 cm-1 View
  • 12 1057.13 cm-1 View
  • 13 1098.79 cm-1 View
  • 14 1220.94 cm-1 View
  • 15 1308.93 cm-1 View
  • 16 1412.31 cm-1 View
  • 17 1626.94 cm-1 View
  • 18 1847.78 cm-1 View
  • 19 1900.06 cm-1 View
  • 20 3035.51 cm-1 View
  • 21 3125.78 cm-1 View
  • 22 3136.08 cm-1 View
  • 23 3481.06 cm-1 View
  • 24 3546.18 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-18.50kJ mol-1
Polar Solvation Energy-26.64kJ mol-1
Nonpolar Solvation Energy8.15kJ mol-1
Surface Area88.18Å2
Charge of Molecule0
Dipole4.40Debye