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
Vibrational42.51J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.77J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational98.60J mol-1 K-1
Vibrational30.61J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.71J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation129.77kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 85.98 cm-1 View
  • 2 335.23 cm-1 View
  • 3 507.06 cm-1 View
  • 4 533.73 cm-1 View
  • 5 707.55 cm-1 View
  • 6 914.72 cm-1 View
  • 7 924.61 cm-1 View
  • 8 942.34 cm-1 View
  • 9 963.84 cm-1 View
  • 10 1017.77 cm-1 View
  • 11 1041.37 cm-1 View
  • 12 1193.48 cm-1 View
  • 13 1207.97 cm-1 View
  • 14 1267.46 cm-1 View
  • 15 1321.10 cm-1 View
  • 16 1376.93 cm-1 View
  • 17 1824.71 cm-1 View
  • 18 1873.59 cm-1 View
  • 19 3033.18 cm-1 View
  • 20 3040.87 cm-1 View
  • 21 3135.49 cm-1 View
  • 22 3136.99 cm-1 View
  • 23 3147.10 cm-1 View
  • 24 3148.48 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy10.44kJ mol-1
Polar Solvation Energy-2.78kJ mol-1
Nonpolar Solvation Energy13.21kJ mol-1
Surface Area76.43Å2
Charge of Molecule0
Dipole0.01Debye