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.)81.93J 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 Formation98.08kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 355.82 cm-1 View
  • 2 356.67 cm-1 View
  • 3 619.18 cm-1 View
  • 4 620.46 cm-1 View
  • 5 620.58 cm-1 View
  • 6 715.02 cm-1 View
  • 7 850.13 cm-1 View
  • 8 850.30 cm-1 View
  • 9 975.93 cm-1 View
  • 10 978.12 cm-1 View
  • 11 978.35 cm-1 View
  • 12 1024.24 cm-1 View
  • 13 1068.79 cm-1 View
  • 14 1068.93 cm-1 View
  • 15 1147.93 cm-1 View
  • 16 1148.12 cm-1 View
  • 17 1154.55 cm-1 View
  • 18 1225.21 cm-1 View
  • 19 1229.44 cm-1 View
  • 20 1303.54 cm-1 View
  • 21 1547.43 cm-1 View
  • 22 1547.50 cm-1 View
  • 23 1785.30 cm-1 View
  • 24 1785.38 cm-1 View
  • 25 3055.11 cm-1 View
  • 26 3059.45 cm-1 View
  • 27 3059.58 cm-1 View
  • 28 3072.72 cm-1 View
  • 29 3072.86 cm-1 View
  • 30 3084.72 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy4.73kJ mol-1
Polar Solvation Energy-4.86kJ mol-1
Nonpolar Solvation Energy9.61kJ mol-1
Surface Area91.58Å2
Charge of Molecule0
Dipole0.00Debye