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
Vibrational48.66J mol-1 K-1
Total (Trans. + Rot. + Vib.)81.92J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.09J mol-1 K-1
Rotational107.29J mol-1 K-1
Vibrational20.76J mol-1 K-1
Total (Trans. + Rot. + Vib.)291.14J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation98.04kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 356.95 cm-1 View
  • 2 356.96 cm-1 View
  • 3 619.51 cm-1 View
  • 4 620.46 cm-1 View
  • 5 620.57 cm-1 View
  • 6 714.71 cm-1 View
  • 7 850.10 cm-1 View
  • 8 850.13 cm-1 View
  • 9 975.94 cm-1 View
  • 10 978.39 cm-1 View
  • 11 978.41 cm-1 View
  • 12 1024.75 cm-1 View
  • 13 1068.85 cm-1 View
  • 14 1068.97 cm-1 View
  • 15 1148.01 cm-1 View
  • 16 1148.13 cm-1 View
  • 17 1154.62 cm-1 View
  • 18 1225.24 cm-1 View
  • 19 1229.55 cm-1 View
  • 20 1302.56 cm-1 View
  • 21 1547.52 cm-1 View
  • 22 1547.56 cm-1 View
  • 23 1785.45 cm-1 View
  • 24 1785.47 cm-1 View
  • 25 3055.09 cm-1 View
  • 26 3059.45 cm-1 View
  • 27 3059.51 cm-1 View
  • 28 3072.74 cm-1 View
  • 29 3072.80 cm-1 View
  • 30 3084.70 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy10.36kJ mol-1
Polar Solvation Energy-4.75kJ mol-1
Nonpolar Solvation Energy15.09kJ mol-1
Surface Area83.59Å2
Charge of Molecule0
Dipole0.00Debye