Benzene-1,3-diol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational299.12kJ mol-1
Total (Trans. + Rot. + Vib.)309.04kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational85.09J mol-1 K-1
Total (Trans. + Rot. + Vib.)118.35J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.37J mol-1 K-1
Rotational117.29J mol-1 K-1
Vibrational53.51J mol-1 K-1
Total (Trans. + Rot. + Vib.)338.17J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-281.14kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 202.32 cm-1 View
  • 2 204.69 cm-1 View
  • 3 316.44 cm-1 View
  • 4 324.72 cm-1 View
  • 5 347.48 cm-1 View
  • 6 414.05 cm-1 View
  • 7 498.47 cm-1 View
  • 8 521.68 cm-1 View
  • 9 553.89 cm-1 View
  • 10 589.09 cm-1 View
  • 11 627.19 cm-1 View
  • 12 792.81 cm-1 View
  • 13 806.44 cm-1 View
  • 14 903.23 cm-1 View
  • 15 916.43 cm-1 View
  • 16 992.56 cm-1 View
  • 17 1060.02 cm-1 View
  • 18 1084.42 cm-1 View
  • 19 1124.03 cm-1 View
  • 20 1156.92 cm-1 View
  • 21 1210.09 cm-1 View
  • 22 1249.75 cm-1 View
  • 23 1273.45 cm-1 View
  • 24 1322.78 cm-1 View
  • 25 1424.29 cm-1 View
  • 26 1487.23 cm-1 View
  • 27 1620.46 cm-1 View
  • 28 1622.73 cm-1 View
  • 29 1790.61 cm-1 View
  • 30 1796.43 cm-1 View
  • 31 3053.72 cm-1 View
  • 32 3063.68 cm-1 View
  • 33 3066.80 cm-1 View
  • 34 3077.70 cm-1 View
  • 35 3885.80 cm-1 View
  • 36 3886.72 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-11.84kJ mol-1
Polar Solvation Energy-19.09kJ mol-1
Nonpolar Solvation Energy7.27kJ mol-1
Surface Area106.58Å2
Charge of Molecule0
Dipole1.45Debye