1,4-dichlorobenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational222.10kJ mol-1
Total (Trans. + Rot. + Vib.)232.01kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational79.76J mol-1 K-1
Total (Trans. + Rot. + Vib.)113.02J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.90J mol-1 K-1
Rotational122.52J mol-1 K-1
Vibrational57.86J mol-1 K-1
Total (Trans. + Rot. + Vib.)351.28J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation42.27kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 94.97 cm-1 View
  • 2 218.21 cm-1 View
  • 3 279.03 cm-1 View
  • 4 323.76 cm-1 View
  • 5 347.83 cm-1 View
  • 6 360.77 cm-1 View
  • 7 493.47 cm-1 View
  • 8 531.21 cm-1 View
  • 9 639.65 cm-1 View
  • 10 663.67 cm-1 View
  • 11 755.64 cm-1 View
  • 12 846.67 cm-1 View
  • 13 863.15 cm-1 View
  • 14 979.66 cm-1 View
  • 15 994.02 cm-1 View
  • 16 1006.65 cm-1 View
  • 17 1070.28 cm-1 View
  • 18 1112.69 cm-1 View
  • 19 1137.80 cm-1 View
  • 20 1197.73 cm-1 View
  • 21 1277.31 cm-1 View
  • 22 1316.67 cm-1 View
  • 23 1524.51 cm-1 View
  • 24 1542.29 cm-1 View
  • 25 1771.89 cm-1 View
  • 26 1775.56 cm-1 View
  • 27 3056.44 cm-1 View
  • 28 3057.97 cm-1 View
  • 29 3069.43 cm-1 View
  • 30 3073.10 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy23.88kJ mol-1
Polar Solvation Energy-6.19kJ mol-1
Nonpolar Solvation Energy30.05kJ mol-1
Surface Area139.68Å2
Charge of Molecule0
Dipole0.00Debye