Buta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational224.24kJ mol-1
Total (Trans. + Rot. + Vib.)234.15kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational42.55J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.81J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational99.76J mol-1 K-1
Vibrational29.53J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.80J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation132.69kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 104.31 cm-1 View
  • 2 302.51 cm-1 View
  • 3 480.49 cm-1 View
  • 4 598.05 cm-1 View
  • 5 704.29 cm-1 View
  • 6 910.88 cm-1 View
  • 7 915.95 cm-1 View
  • 8 944.30 cm-1 View
  • 9 1015.96 cm-1 View
  • 10 1032.11 cm-1 View
  • 11 1039.13 cm-1 View
  • 12 1104.01 cm-1 View
  • 13 1174.27 cm-1 View
  • 14 1276.19 cm-1 View
  • 15 1313.65 cm-1 View
  • 16 1373.42 cm-1 View
  • 17 1834.61 cm-1 View
  • 18 1864.65 cm-1 View
  • 19 3031.28 cm-1 View
  • 20 3041.68 cm-1 View
  • 21 3130.28 cm-1 View
  • 22 3134.76 cm-1 View
  • 23 3146.70 cm-1 View
  • 24 3147.34 cm-1 View