Chlorobenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational242.98kJ mol-1
Total (Trans. + Rot. + Vib.)252.90kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational64.20J mol-1 K-1
Total (Trans. + Rot. + Vib.)97.46J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.59J mol-1 K-1
Rotational115.99J mol-1 K-1
Vibrational37.64J mol-1 K-1
Total (Trans. + Rot. + Vib.)321.23J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation69.70kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 174.43 cm-1 View
  • 2 289.60 cm-1 View
  • 3 358.34 cm-1 View
  • 4 410.26 cm-1 View
  • 5 446.57 cm-1 View
  • 6 627.98 cm-1 View
  • 7 634.02 cm-1 View
  • 8 706.88 cm-1 View
  • 9 771.44 cm-1 View
  • 10 848.78 cm-1 View
  • 11 932.48 cm-1 View
  • 12 979.22 cm-1 View
  • 13 992.35 cm-1 View
  • 14 1016.33 cm-1 View
  • 15 1066.63 cm-1 View
  • 16 1093.59 cm-1 View
  • 17 1143.31 cm-1 View
  • 18 1150.91 cm-1 View
  • 19 1209.39 cm-1 View
  • 20 1254.68 cm-1 View
  • 21 1310.27 cm-1 View
  • 22 1536.51 cm-1 View
  • 23 1545.16 cm-1 View
  • 24 1779.42 cm-1 View
  • 25 1779.78 cm-1 View
  • 26 3055.24 cm-1 View
  • 27 3058.39 cm-1 View
  • 28 3065.42 cm-1 View
  • 29 3071.49 cm-1 View
  • 30 3080.54 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy20.65kJ mol-1
Polar Solvation Energy-5.85kJ mol-1
Nonpolar Solvation Energy26.54kJ mol-1
Surface Area109.69Å2
Charge of Molecule0
Dipole1.34Debye