Benzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational263.87kJ mol-1
Total (Trans. + Rot. + Vib.)273.79kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational48.67J mol-1 K-1
Total (Trans. + Rot. + Vib.)81.93J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.09J mol-1 K-1
Rotational107.29J mol-1 K-1
Vibrational20.79J mol-1 K-1
Total (Trans. + Rot. + Vib.)291.17J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation98.05kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 355.95 cm-1 View
  • 2 356.52 cm-1 View
  • 3 619.13 cm-1 View
  • 4 620.50 cm-1 View
  • 5 620.59 cm-1 View
  • 6 715.25 cm-1 View
  • 7 850.29 cm-1 View
  • 8 850.29 cm-1 View
  • 9 975.99 cm-1 View
  • 10 978.21 cm-1 View
  • 11 978.33 cm-1 View
  • 12 1024.27 cm-1 View
  • 13 1068.73 cm-1 View
  • 14 1068.77 cm-1 View
  • 15 1147.85 cm-1 View
  • 16 1147.91 cm-1 View
  • 17 1154.29 cm-1 View
  • 18 1225.04 cm-1 View
  • 19 1229.58 cm-1 View
  • 20 1303.80 cm-1 View
  • 21 1547.53 cm-1 View
  • 22 1547.57 cm-1 View
  • 23 1785.47 cm-1 View
  • 24 1785.57 cm-1 View
  • 25 3055.15 cm-1 View
  • 26 3059.50 cm-1 View
  • 27 3059.61 cm-1 View
  • 28 3072.78 cm-1 View
  • 29 3072.89 cm-1 View
  • 30 3084.77 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy5.22kJ mol-1
Polar Solvation Energy-5.33kJ mol-1
Nonpolar Solvation Energy10.49kJ mol-1
Surface Area85.91Å2
Charge of Molecule0
Dipole0.00Debye