Buta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational224.64kJ 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
Vibrational30.29J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.39J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation129.72kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 89.30 cm-1 View
  • 2 334.74 cm-1 View
  • 3 511.27 cm-1 View
  • 4 530.36 cm-1 View
  • 5 707.70 cm-1 View
  • 6 915.00 cm-1 View
  • 7 924.61 cm-1 View
  • 8 942.52 cm-1 View
  • 9 963.53 cm-1 View
  • 10 1017.79 cm-1 View
  • 11 1041.57 cm-1 View
  • 12 1194.00 cm-1 View
  • 13 1208.07 cm-1 View
  • 14 1267.62 cm-1 View
  • 15 1321.23 cm-1 View
  • 16 1377.05 cm-1 View
  • 17 1824.71 cm-1 View
  • 18 1873.44 cm-1 View
  • 19 3033.00 cm-1 View
  • 20 3040.60 cm-1 View
  • 21 3135.89 cm-1 View
  • 22 3136.55 cm-1 View
  • 23 3147.40 cm-1 View
  • 24 3147.95 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy1.61kJ mol-1
Polar Solvation Energy-2.87kJ mol-1
Nonpolar Solvation Energy4.51kJ mol-1
Surface Area86.17Å2
Charge of Molecule0
Dipole0.00Debye