Buta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational224.64kJ 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
Vibrational42.49J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.75J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational98.59J mol-1 K-1
Vibrational30.46J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.56J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation129.72kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 87.35 cm-1 View
  • 2 335.21 cm-1 View
  • 3 511.57 cm-1 View
  • 4 530.52 cm-1 View
  • 5 707.94 cm-1 View
  • 6 914.94 cm-1 View
  • 7 924.76 cm-1 View
  • 8 942.67 cm-1 View
  • 9 963.63 cm-1 View
  • 10 1017.86 cm-1 View
  • 11 1041.54 cm-1 View
  • 12 1193.97 cm-1 View
  • 13 1208.05 cm-1 View
  • 14 1267.48 cm-1 View
  • 15 1321.19 cm-1 View
  • 16 1376.92 cm-1 View
  • 17 1824.75 cm-1 View
  • 18 1873.39 cm-1 View
  • 19 3032.82 cm-1 View
  • 20 3040.42 cm-1 View
  • 21 3136.02 cm-1 View
  • 22 3136.59 cm-1 View
  • 23 3147.14 cm-1 View
  • 24 3147.68 cm-1 View