Benzene-1,3,5-triol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational316.90kJ mol-1
Total (Trans. + Rot. + Vib.)326.81kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational103.35J mol-1 K-1
Total (Trans. + Rot. + Vib.)136.61J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.07J mol-1 K-1
Rotational121.56J mol-1 K-1
Vibrational70.68J mol-1 K-1
Total (Trans. + Rot. + Vib.)361.30J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-471.22kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 195.37 cm-1 View
  • 2 201.44 cm-1 View
  • 3 205.16 cm-1 View
  • 4 314.60 cm-1 View
  • 5 329.59 cm-1 View
  • 6 335.92 cm-1 View
  • 7 342.79 cm-1 View
  • 8 345.15 cm-1 View
  • 9 514.37 cm-1 View
  • 10 518.01 cm-1 View
  • 11 576.94 cm-1 View
  • 12 586.98 cm-1 View
  • 13 591.31 cm-1 View
  • 14 617.57 cm-1 View
  • 15 648.77 cm-1 View
  • 16 870.79 cm-1 View
  • 17 898.29 cm-1 View
  • 18 941.85 cm-1 View
  • 19 1076.78 cm-1 View
  • 20 1112.97 cm-1 View
  • 21 1117.98 cm-1 View
  • 22 1201.64 cm-1 View
  • 23 1223.53 cm-1 View
  • 24 1246.01 cm-1 View
  • 25 1283.49 cm-1 View
  • 26 1319.44 cm-1 View
  • 27 1353.92 cm-1 View
  • 28 1460.80 cm-1 View
  • 29 1577.51 cm-1 View
  • 30 1630.19 cm-1 View
  • 31 1641.50 cm-1 View
  • 32 1792.87 cm-1 View
  • 33 1801.10 cm-1 View
  • 34 3060.26 cm-1 View
  • 35 3066.41 cm-1 View
  • 36 3073.01 cm-1 View
  • 37 3884.24 cm-1 View
  • 38 3886.36 cm-1 View
  • 39 3886.78 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-20.48kJ mol-1
Polar Solvation Energy-27.87kJ mol-1
Nonpolar Solvation Energy7.40kJ mol-1
Surface Area116.06Å2
Charge of Molecule0
Dipole2.93Debye