Buta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational224.26kJ mol-1
Total (Trans. + Rot. + Vib.)234.17kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational42.53J mol-1 K-1
Total (Trans. + Rot. + Vib.)75.79J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.51J mol-1 K-1
Rotational99.76J mol-1 K-1
Vibrational29.04J mol-1 K-1
Total (Trans. + Rot. + Vib.)287.31J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation132.70kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 110.77 cm-1 View
  • 2 302.72 cm-1 View
  • 3 479.37 cm-1 View
  • 4 598.79 cm-1 View
  • 5 704.13 cm-1 View
  • 6 911.33 cm-1 View
  • 7 916.01 cm-1 View
  • 8 944.40 cm-1 View
  • 9 1015.54 cm-1 View
  • 10 1032.19 cm-1 View
  • 11 1039.30 cm-1 View
  • 12 1103.73 cm-1 View
  • 13 1174.09 cm-1 View
  • 14 1276.49 cm-1 View
  • 15 1313.57 cm-1 View
  • 16 1373.73 cm-1 View
  • 17 1834.64 cm-1 View
  • 18 1865.27 cm-1 View
  • 19 3031.63 cm-1 View
  • 20 3041.94 cm-1 View
  • 21 3130.67 cm-1 View
  • 22 3134.91 cm-1 View
  • 23 3146.85 cm-1 View
  • 24 3147.53 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy3.94kJ mol-1
Polar Solvation Energy-2.73kJ mol-1
Nonpolar Solvation Energy6.65kJ mol-1
Surface Area86.84Å2
Charge of Molecule0
Dipole0.03Debye