Benzene-1,2-diol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational298.30kJ mol-1
Total (Trans. + Rot. + Vib.)308.21kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational86.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)120.01J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.37J mol-1 K-1
Rotational116.63J mol-1 K-1
Vibrational59.51J mol-1 K-1
Total (Trans. + Rot. + Vib.)343.52J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-271.79kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 150.61 cm-1 View
  • 2 200.96 cm-1 View
  • 3 250.30 cm-1 View
  • 4 270.35 cm-1 View
  • 5 329.15 cm-1 View
  • 6 433.07 cm-1 View
  • 7 462.63 cm-1 View
  • 8 494.15 cm-1 View
  • 9 539.47 cm-1 View
  • 10 591.96 cm-1 View
  • 11 701.68 cm-1 View
  • 12 777.25 cm-1 View
  • 13 858.37 cm-1 View
  • 14 879.95 cm-1 View
  • 15 903.06 cm-1 View
  • 16 949.64 cm-1 View
  • 17 997.26 cm-1 View
  • 18 1108.88 cm-1 View
  • 19 1116.92 cm-1 View
  • 20 1153.36 cm-1 View
  • 21 1194.32 cm-1 View
  • 22 1236.41 cm-1 View
  • 23 1311.22 cm-1 View
  • 24 1374.90 cm-1 View
  • 25 1419.57 cm-1 View
  • 26 1445.53 cm-1 View
  • 27 1593.33 cm-1 View
  • 28 1642.65 cm-1 View
  • 29 1789.43 cm-1 View
  • 30 1791.97 cm-1 View
  • 31 3052.46 cm-1 View
  • 32 3057.29 cm-1 View
  • 33 3066.44 cm-1 View
  • 34 3078.38 cm-1 View
  • 35 3891.37 cm-1 View
  • 36 3892.81 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-8.24kJ mol-1
Polar Solvation Energy-15.55kJ mol-1
Nonpolar Solvation Energy7.31kJ mol-1
Surface Area107.79Å2
Charge of Molecule0
Dipole2.54Debye