Phenol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational281.40kJ 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
Vibrational66.97J mol-1 K-1
Total (Trans. + Rot. + Vib.)100.23J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.41J mol-1 K-1
Rotational112.53J mol-1 K-1
Vibrational37.12J mol-1 K-1
Total (Trans. + Rot. + Vib.)315.06J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-90.59kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 204.97 cm-1 View
  • 2 303.76 cm-1 View
  • 3 361.33 cm-1 View
  • 4 426.64 cm-1 View
  • 5 476.21 cm-1 View
  • 6 533.72 cm-1 View
  • 7 629.42 cm-1 View
  • 8 634.12 cm-1 View
  • 9 775.06 cm-1 View
  • 10 840.77 cm-1 View
  • 11 875.14 cm-1 View
  • 12 921.41 cm-1 View
  • 13 972.22 cm-1 View
  • 14 1009.07 cm-1 View
  • 15 1047.37 cm-1 View
  • 16 1103.53 cm-1 View
  • 17 1130.20 cm-1 View
  • 18 1151.92 cm-1 View
  • 19 1156.58 cm-1 View
  • 20 1212.98 cm-1 View
  • 21 1271.91 cm-1 View
  • 22 1377.20 cm-1 View
  • 23 1407.91 cm-1 View
  • 24 1569.26 cm-1 View
  • 25 1609.42 cm-1 View
  • 26 1786.73 cm-1 View
  • 27 1791.89 cm-1 View
  • 28 3054.36 cm-1 View
  • 29 3056.90 cm-1 View
  • 30 3065.70 cm-1 View
  • 31 3071.51 cm-1 View
  • 32 3081.25 cm-1 View
  • 33 3888.44 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy3.33kJ mol-1
Polar Solvation Energy-11.91kJ mol-1
Nonpolar Solvation Energy15.22kJ mol-1
Surface Area90.73Å2
Charge of Molecule0
Dipole1.48Debye