2,6-dichlorophenol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational239.82kJ mol-1
Total (Trans. + Rot. + Vib.)249.74kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational97.87J mol-1 K-1
Total (Trans. + Rot. + Vib.)131.12J mol-1 K-1
Entropy
PropertyValueUnit
Translational172.19J mol-1 K-1
Rotational125.60J mol-1 K-1
Vibrational76.04J mol-1 K-1
Total (Trans. + Rot. + Vib.)373.84J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-138.95kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 93.35 cm-1 View
  • 2 186.26 cm-1 View
  • 3 202.99 cm-1 View
  • 4 272.59 cm-1 View
  • 5 286.32 cm-1 View
  • 6 299.69 cm-1 View
  • 7 368.34 cm-1 View
  • 8 404.21 cm-1 View
  • 9 482.94 cm-1 View
  • 10 514.45 cm-1 View
  • 11 533.87 cm-1 View
  • 12 615.72 cm-1 View
  • 13 740.59 cm-1 View
  • 14 773.09 cm-1 View
  • 15 813.13 cm-1 View
  • 16 873.94 cm-1 View
  • 17 931.13 cm-1 View
  • 18 998.00 cm-1 View
  • 19 1087.21 cm-1 View
  • 20 1141.23 cm-1 View
  • 21 1158.17 cm-1 View
  • 22 1194.36 cm-1 View
  • 23 1286.16 cm-1 View
  • 24 1385.82 cm-1 View
  • 25 1419.28 cm-1 View
  • 26 1556.65 cm-1 View
  • 27 1607.41 cm-1 View
  • 28 1775.08 cm-1 View
  • 29 1777.11 cm-1 View
  • 30 3054.19 cm-1 View
  • 31 3059.34 cm-1 View
  • 32 3075.19 cm-1 View
  • 33 3856.72 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy23.26kJ mol-1
Polar Solvation Energy-11.10kJ mol-1
Nonpolar Solvation Energy34.36kJ mol-1
Surface Area138.07Å2
Charge of Molecule0
Dipole1.87Debye