Phenol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational281.39kJ mol-1
Total (Trans. + Rot. + Vib.)291.31kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational66.99J mol-1 K-1
Total (Trans. + Rot. + Vib.)100.25J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.41J mol-1 K-1
Rotational112.53J mol-1 K-1
Vibrational37.19J mol-1 K-1
Total (Trans. + Rot. + Vib.)315.13J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-90.57kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 204.63 cm-1 View
  • 2 301.32 cm-1 View
  • 3 361.55 cm-1 View
  • 4 426.72 cm-1 View
  • 5 476.01 cm-1 View
  • 6 533.70 cm-1 View
  • 7 629.38 cm-1 View
  • 8 634.07 cm-1 View
  • 9 775.06 cm-1 View
  • 10 840.68 cm-1 View
  • 11 875.04 cm-1 View
  • 12 921.40 cm-1 View
  • 13 972.17 cm-1 View
  • 14 1008.96 cm-1 View
  • 15 1047.33 cm-1 View
  • 16 1103.52 cm-1 View
  • 17 1130.13 cm-1 View
  • 18 1151.92 cm-1 View
  • 19 1156.56 cm-1 View
  • 20 1212.91 cm-1 View
  • 21 1272.09 cm-1 View
  • 22 1377.38 cm-1 View
  • 23 1407.69 cm-1 View
  • 24 1569.22 cm-1 View
  • 25 1609.31 cm-1 View
  • 26 1786.70 cm-1 View
  • 27 1791.83 cm-1 View
  • 28 3054.48 cm-1 View
  • 29 3057.03 cm-1 View
  • 30 3065.81 cm-1 View
  • 31 3071.66 cm-1 View
  • 32 3081.31 cm-1 View
  • 33 3888.75 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-5.56kJ mol-1
Polar Solvation Energy-12.38kJ mol-1
Nonpolar Solvation Energy6.81kJ mol-1
Surface Area99.70Å2
Charge of Molecule0
Dipole1.48Debye