Buta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational224.63kJ mol-1
Total (Trans. + Rot. + Vib.)234.55kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational42.51J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.77J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational98.59J mol-1 K-1
Vibrational30.63J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.73J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation129.71kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 85.81 cm-1 View
  • 2 335.06 cm-1 View
  • 3 510.10 cm-1 View
  • 4 530.47 cm-1 View
  • 5 707.46 cm-1 View
  • 6 914.95 cm-1 View
  • 7 924.69 cm-1 View
  • 8 942.58 cm-1 View
  • 9 963.54 cm-1 View
  • 10 1017.63 cm-1 View
  • 11 1041.33 cm-1 View
  • 12 1194.06 cm-1 View
  • 13 1208.10 cm-1 View
  • 14 1267.65 cm-1 View
  • 15 1321.23 cm-1 View
  • 16 1377.06 cm-1 View
  • 17 1824.73 cm-1 View
  • 18 1873.47 cm-1 View
  • 19 3032.87 cm-1 View
  • 20 3040.47 cm-1 View
  • 21 3136.06 cm-1 View
  • 22 3136.71 cm-1 View
  • 23 3147.65 cm-1 View
  • 24 3148.22 cm-1 View