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
Vibrational42.50J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.76J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational98.60J mol-1 K-1
Vibrational30.43J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.54J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation129.77kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 87.78 cm-1 View
  • 2 334.94 cm-1 View
  • 3 508.02 cm-1 View
  • 4 533.84 cm-1 View
  • 5 707.86 cm-1 View
  • 6 914.62 cm-1 View
  • 7 924.63 cm-1 View
  • 8 942.33 cm-1 View
  • 9 963.52 cm-1 View
  • 10 1017.91 cm-1 View
  • 11 1041.52 cm-1 View
  • 12 1193.37 cm-1 View
  • 13 1207.60 cm-1 View
  • 14 1267.47 cm-1 View
  • 15 1321.08 cm-1 View
  • 16 1376.92 cm-1 View
  • 17 1824.70 cm-1 View
  • 18 1873.52 cm-1 View
  • 19 3033.23 cm-1 View
  • 20 3040.82 cm-1 View
  • 21 3135.76 cm-1 View
  • 22 3136.55 cm-1 View
  • 23 3147.35 cm-1 View
  • 24 3148.07 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy9.29kJ mol-1
Polar Solvation Energy-2.63kJ mol-1
Nonpolar Solvation Energy11.91kJ mol-1
Surface Area78.72Å2
Charge of Molecule0
Dipole0.02Debye