Phenol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational281.38kJ mol-1
Total (Trans. + Rot. + Vib.)291.30kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational66.88J mol-1 K-1
Total (Trans. + Rot. + Vib.)100.14J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.41J mol-1 K-1
Rotational112.52J mol-1 K-1
Vibrational36.87J mol-1 K-1
Total (Trans. + Rot. + Vib.)314.80J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-89.91kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 205.27 cm-1 View
  • 2 314.18 cm-1 View
  • 3 364.35 cm-1 View
  • 4 424.22 cm-1 View
  • 5 474.39 cm-1 View
  • 6 533.50 cm-1 View
  • 7 629.69 cm-1 View
  • 8 634.35 cm-1 View
  • 9 774.54 cm-1 View
  • 10 841.85 cm-1 View
  • 11 875.52 cm-1 View
  • 12 921.94 cm-1 View
  • 13 973.13 cm-1 View
  • 14 1009.68 cm-1 View
  • 15 1046.80 cm-1 View
  • 16 1101.27 cm-1 View
  • 17 1130.38 cm-1 View
  • 18 1151.69 cm-1 View
  • 19 1152.85 cm-1 View
  • 20 1215.57 cm-1 View
  • 21 1272.94 cm-1 View
  • 22 1376.94 cm-1 View
  • 23 1412.62 cm-1 View
  • 24 1569.50 cm-1 View
  • 25 1609.72 cm-1 View
  • 26 1788.75 cm-1 View
  • 27 1790.88 cm-1 View
  • 28 3053.82 cm-1 View
  • 29 3054.72 cm-1 View
  • 30 3065.40 cm-1 View
  • 31 3068.99 cm-1 View
  • 32 3081.84 cm-1 View
  • 33 3880.68 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy2.20kJ mol-1
Polar Solvation Energy-11.98kJ mol-1
Nonpolar Solvation Energy14.21kJ mol-1
Surface Area91.21Å2
Charge of Molecule0
Dipole1.49Debye