Chlorobenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational242.97kJ mol-1
Total (Trans. + Rot. + Vib.)252.88kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational64.21J mol-1 K-1
Total (Trans. + Rot. + Vib.)97.47J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.59J mol-1 K-1
Rotational115.99J mol-1 K-1
Vibrational37.62J mol-1 K-1
Total (Trans. + Rot. + Vib.)321.21J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation69.68kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 174.84 cm-1 View
  • 2 289.37 cm-1 View
  • 3 359.07 cm-1 View
  • 4 410.35 cm-1 View
  • 5 446.74 cm-1 View
  • 6 627.91 cm-1 View
  • 7 633.96 cm-1 View
  • 8 707.07 cm-1 View
  • 9 770.00 cm-1 View
  • 10 847.83 cm-1 View
  • 11 932.15 cm-1 View
  • 12 979.09 cm-1 View
  • 13 992.40 cm-1 View
  • 14 1016.67 cm-1 View
  • 15 1066.82 cm-1 View
  • 16 1093.74 cm-1 View
  • 17 1143.54 cm-1 View
  • 18 1151.07 cm-1 View
  • 19 1209.53 cm-1 View
  • 20 1254.71 cm-1 View
  • 21 1308.49 cm-1 View
  • 22 1536.46 cm-1 View
  • 23 1545.17 cm-1 View
  • 24 1779.32 cm-1 View
  • 25 1779.75 cm-1 View
  • 26 3055.40 cm-1 View
  • 27 3058.38 cm-1 View
  • 28 3065.55 cm-1 View
  • 29 3071.48 cm-1 View
  • 30 3080.67 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy22.76kJ mol-1
Polar Solvation Energy-5.89kJ mol-1
Nonpolar Solvation Energy28.63kJ mol-1
Surface Area108.20Å2
Charge of Molecule0
Dipole1.34Debye