Buta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational224.62kJ mol-1
Total (Trans. + Rot. + Vib.)234.54kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational42.52J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.78J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational98.61J mol-1 K-1
Vibrational30.58J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.69J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation129.83kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 86.41 cm-1 View
  • 2 335.19 cm-1 View
  • 3 504.04 cm-1 View
  • 4 536.56 cm-1 View
  • 5 707.56 cm-1 View
  • 6 914.48 cm-1 View
  • 7 924.67 cm-1 View
  • 8 942.14 cm-1 View
  • 9 963.79 cm-1 View
  • 10 1017.89 cm-1 View
  • 11 1041.41 cm-1 View
  • 12 1192.88 cm-1 View
  • 13 1207.31 cm-1 View
  • 14 1267.38 cm-1 View
  • 15 1320.97 cm-1 View
  • 16 1376.81 cm-1 View
  • 17 1824.72 cm-1 View
  • 18 1873.69 cm-1 View
  • 19 3033.52 cm-1 View
  • 20 3041.12 cm-1 View
  • 21 3135.81 cm-1 View
  • 22 3136.97 cm-1 View
  • 23 3147.23 cm-1 View
  • 24 3148.31 cm-1 View