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
Vibrational42.49J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.75J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational98.59J mol-1 K-1
Vibrational30.44J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.53J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation129.73kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 87.60 cm-1 View
  • 2 335.46 cm-1 View
  • 3 510.98 cm-1 View
  • 4 530.81 cm-1 View
  • 5 707.80 cm-1 View
  • 6 915.08 cm-1 View
  • 7 924.82 cm-1 View
  • 8 942.72 cm-1 View
  • 9 963.71 cm-1 View
  • 10 1017.85 cm-1 View
  • 11 1041.53 cm-1 View
  • 12 1194.00 cm-1 View
  • 13 1208.09 cm-1 View
  • 14 1267.66 cm-1 View
  • 15 1321.18 cm-1 View
  • 16 1377.06 cm-1 View
  • 17 1824.64 cm-1 View
  • 18 1873.40 cm-1 View
  • 19 3032.71 cm-1 View
  • 20 3040.30 cm-1 View
  • 21 3135.24 cm-1 View
  • 22 3136.50 cm-1 View
  • 23 3147.24 cm-1 View
  • 24 3147.95 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy12.49kJ mol-1
Polar Solvation Energy-2.67kJ mol-1
Nonpolar Solvation Energy15.17kJ mol-1
Surface Area75.77Å2
Charge of Molecule0
Dipole0.00Debye