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
Vibrational42.50J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.76J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational98.60J mol-1 K-1
Vibrational30.23J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.33J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation129.77kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 90.12 cm-1 View
  • 2 334.77 cm-1 View
  • 3 507.78 cm-1 View
  • 4 533.59 cm-1 View
  • 5 707.46 cm-1 View
  • 6 914.50 cm-1 View
  • 7 924.85 cm-1 View
  • 8 942.50 cm-1 View
  • 9 963.34 cm-1 View
  • 10 1017.88 cm-1 View
  • 11 1041.62 cm-1 View
  • 12 1193.42 cm-1 View
  • 13 1207.60 cm-1 View
  • 14 1267.41 cm-1 View
  • 15 1321.07 cm-1 View
  • 16 1376.91 cm-1 View
  • 17 1824.61 cm-1 View
  • 18 1873.44 cm-1 View
  • 19 3033.29 cm-1 View
  • 20 3040.86 cm-1 View
  • 21 3136.10 cm-1 View
  • 22 3136.76 cm-1 View
  • 23 3147.36 cm-1 View
  • 24 3147.99 cm-1 View