Chlorobenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational242.96kJ 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
Vibrational64.23J mol-1 K-1
Total (Trans. + Rot. + Vib.)97.49J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.59J mol-1 K-1
Rotational115.99J mol-1 K-1
Vibrational37.67J mol-1 K-1
Total (Trans. + Rot. + Vib.)321.25J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation69.68kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 174.13 cm-1 View
  • 2 289.60 cm-1 View
  • 3 358.35 cm-1 View
  • 4 410.33 cm-1 View
  • 5 446.18 cm-1 View
  • 6 627.93 cm-1 View
  • 7 633.78 cm-1 View
  • 8 706.97 cm-1 View
  • 9 770.23 cm-1 View
  • 10 848.03 cm-1 View
  • 11 932.10 cm-1 View
  • 12 978.97 cm-1 View
  • 13 992.36 cm-1 View
  • 14 1016.21 cm-1 View
  • 15 1066.67 cm-1 View
  • 16 1093.63 cm-1 View
  • 17 1143.35 cm-1 View
  • 18 1150.86 cm-1 View
  • 19 1209.39 cm-1 View
  • 20 1254.68 cm-1 View
  • 21 1309.86 cm-1 View
  • 22 1536.46 cm-1 View
  • 23 1545.14 cm-1 View
  • 24 1779.34 cm-1 View
  • 25 1779.75 cm-1 View
  • 26 3055.30 cm-1 View
  • 27 3058.27 cm-1 View
  • 28 3065.40 cm-1 View
  • 29 3071.37 cm-1 View
  • 30 3080.56 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy14.22kJ mol-1
Polar Solvation Energy-6.06kJ mol-1
Nonpolar Solvation Energy20.27kJ mol-1
Surface Area116.42Å2
Charge of Molecule0
Dipole1.33Debye