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.)273.78kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational48.68J mol-1 K-1
Total (Trans. + Rot. + Vib.)81.94J 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
  • 1 355.74 cm-1 View
  • 2 356.41 cm-1 View
  • 3 619.08 cm-1 View
  • 4 620.46 cm-1 View
  • 5 620.53 cm-1 View
  • 6 715.02 cm-1 View
  • 7 850.16 cm-1 View
  • 8 850.17 cm-1 View
  • 9 975.94 cm-1 View
  • 10 978.09 cm-1 View
  • 11 978.24 cm-1 View
  • 12 1024.14 cm-1 View
  • 13 1068.71 cm-1 View
  • 14 1068.73 cm-1 View
  • 15 1147.86 cm-1 View
  • 16 1147.87 cm-1 View
  • 17 1154.28 cm-1 View
  • 18 1225.03 cm-1 View
  • 19 1229.52 cm-1 View
  • 20 1303.99 cm-1 View
  • 21 1547.49 cm-1 View
  • 22 1547.51 cm-1 View
  • 23 1785.43 cm-1 View
  • 24 1785.46 cm-1 View
  • 25 3055.25 cm-1 View
  • 26 3059.63 cm-1 View
  • 27 3059.68 cm-1 View
  • 28 3072.91 cm-1 View
  • 29 3072.96 cm-1 View
  • 30 3084.86 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy1.89kJ mol-1
Polar Solvation Energy-4.89kJ mol-1
Nonpolar Solvation Energy6.77kJ mol-1
Surface Area93.43Å2
Charge of Molecule0
Dipole0.00Debye