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
Rotational98.59J mol-1 K-1
Vibrational30.39J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.49J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation129.73kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 88.27 cm-1 View
  • 2 335.04 cm-1 View
  • 3 510.35 cm-1 View
  • 4 530.61 cm-1 View
  • 5 707.45 cm-1 View
  • 6 915.20 cm-1 View
  • 7 924.66 cm-1 View
  • 8 942.56 cm-1 View
  • 9 963.94 cm-1 View
  • 10 1017.71 cm-1 View
  • 11 1041.51 cm-1 View
  • 12 1194.06 cm-1 View
  • 13 1208.26 cm-1 View
  • 14 1267.50 cm-1 View
  • 15 1321.25 cm-1 View
  • 16 1376.98 cm-1 View
  • 17 1824.80 cm-1 View
  • 18 1873.54 cm-1 View
  • 19 3032.71 cm-1 View
  • 20 3040.31 cm-1 View
  • 21 3135.90 cm-1 View
  • 22 3136.48 cm-1 View
  • 23 3147.07 cm-1 View
  • 24 3147.61 cm-1 View