Benzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational263.88kJ 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 Formation98.08kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 356.82 cm-1 View
  • 2 357.01 cm-1 View
  • 3 619.50 cm-1 View
  • 4 620.47 cm-1 View
  • 5 620.55 cm-1 View
  • 6 714.72 cm-1 View
  • 7 850.00 cm-1 View
  • 8 850.25 cm-1 View
  • 9 975.92 cm-1 View
  • 10 978.32 cm-1 View
  • 11 978.49 cm-1 View
  • 12 1024.75 cm-1 View
  • 13 1068.89 cm-1 View
  • 14 1069.03 cm-1 View
  • 15 1148.00 cm-1 View
  • 16 1148.24 cm-1 View
  • 17 1154.70 cm-1 View
  • 18 1225.28 cm-1 View
  • 19 1229.60 cm-1 View
  • 20 1302.77 cm-1 View
  • 21 1547.54 cm-1 View
  • 22 1547.64 cm-1 View
  • 23 1785.45 cm-1 View
  • 24 1785.62 cm-1 View
  • 25 3055.07 cm-1 View
  • 26 3059.29 cm-1 View
  • 27 3059.65 cm-1 View
  • 28 3072.58 cm-1 View
  • 29 3072.96 cm-1 View
  • 30 3084.70 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy8.27kJ mol-1
Polar Solvation Energy-4.74kJ mol-1
Nonpolar Solvation Energy13.00kJ mol-1
Surface Area82.82Å2
Charge of Molecule0
Dipole0.00Debye