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.)273.80kJ 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
  • 1 356.92 cm-1 View
  • 2 356.97 cm-1 View
  • 3 619.49 cm-1 View
  • 4 620.48 cm-1 View
  • 5 620.57 cm-1 View
  • 6 714.74 cm-1 View
  • 7 850.10 cm-1 View
  • 8 850.12 cm-1 View
  • 9 975.93 cm-1 View
  • 10 978.37 cm-1 View
  • 11 978.39 cm-1 View
  • 12 1024.73 cm-1 View
  • 13 1068.84 cm-1 View
  • 14 1069.02 cm-1 View
  • 15 1148.00 cm-1 View
  • 16 1148.19 cm-1 View
  • 17 1154.67 cm-1 View
  • 18 1225.26 cm-1 View
  • 19 1229.56 cm-1 View
  • 20 1302.75 cm-1 View
  • 21 1547.54 cm-1 View
  • 22 1547.56 cm-1 View
  • 23 1785.46 cm-1 View
  • 24 1785.49 cm-1 View
  • 25 3055.17 cm-1 View
  • 26 3059.53 cm-1 View
  • 27 3059.59 cm-1 View
  • 28 3072.82 cm-1 View
  • 29 3072.87 cm-1 View
  • 30 3084.77 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy4.54kJ mol-1
Polar Solvation Energy-5.28kJ mol-1
Nonpolar Solvation Energy9.82kJ mol-1
Surface Area86.73Å2
Charge of Molecule0
Dipole0.00Debye