Cyclobutadiene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational167.23kJ mol-1
Total (Trans. + Rot. + Vib.)177.14kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational25.97J mol-1 K-1
Total (Trans. + Rot. + Vib.)59.23J mol-1 K-1
Entropy
PropertyValueUnit
Translational158.03J mol-1 K-1
Rotational95.38J mol-1 K-1
Vibrational9.03J mol-1 K-1
Total (Trans. + Rot. + Vib.)262.44J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation414.27kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 449.44 cm-1 View
  • 2 713.36 cm-1 View
  • 3 790.14 cm-1 View
  • 4 873.41 cm-1 View
  • 5 889.57 cm-1 View
  • 6 916.18 cm-1 View
  • 7 969.84 cm-1 View
  • 8 1007.12 cm-1 View
  • 9 1024.44 cm-1 View
  • 10 1163.27 cm-1 View
  • 11 1188.42 cm-1 View
  • 12 1189.70 cm-1 View
  • 13 1765.58 cm-1 View
  • 14 1770.08 cm-1 View
  • 15 3212.50 cm-1 View
  • 16 3216.05 cm-1 View
  • 17 3230.09 cm-1 View
  • 18 3243.15 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy1.14kJ mol-1
Polar Solvation Energy-4.23kJ mol-1
Nonpolar Solvation Energy5.39kJ mol-1
Surface Area79.51Å2
Charge of Molecule0
Dipole0.00Debye