Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational79.01kJ mol-1
Total (Trans. + Rot. + Vib.)88.93kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational2.03J mol-1 K-1
Total (Trans. + Rot. + Vib.)35.28J mol-1 K-1
Entropy
PropertyValueUnit
Translational142.54J mol-1 K-1
Rotational58.46J mol-1 K-1
Vibrational0.38J mol-1 K-1
Total (Trans. + Rot. + Vib.)201.38J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation1072.41kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 1246.80 cm-1 View
  • 2 1246.80 cm-1 View
  • 3 1335.82 cm-1 View
  • 4 3041.91 cm-1 View
  • 5 3160.89 cm-1 View
  • 6 3160.89 cm-1 View