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
Vibrational66.98J mol-1 K-1
Total (Trans. + Rot. + Vib.)100.24J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.41J mol-1 K-1
Rotational112.53J mol-1 K-1
Vibrational37.15J mol-1 K-1
Total (Trans. + Rot. + Vib.)315.09J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-90.53kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 204.77 cm-1 View
  • 2 302.67 cm-1 View
  • 3 361.60 cm-1 View
  • 4 426.67 cm-1 View
  • 5 476.08 cm-1 View
  • 6 533.71 cm-1 View
  • 7 629.37 cm-1 View
  • 8 634.16 cm-1 View
  • 9 775.14 cm-1 View
  • 10 840.77 cm-1 View
  • 11 875.09 cm-1 View
  • 12 921.43 cm-1 View
  • 13 972.27 cm-1 View
  • 14 1009.00 cm-1 View
  • 15 1047.32 cm-1 View
  • 16 1103.54 cm-1 View
  • 17 1130.14 cm-1 View
  • 18 1151.92 cm-1 View
  • 19 1156.58 cm-1 View
  • 20 1212.88 cm-1 View
  • 21 1271.96 cm-1 View
  • 22 1377.31 cm-1 View
  • 23 1407.67 cm-1 View
  • 24 1569.23 cm-1 View
  • 25 1609.29 cm-1 View
  • 26 1786.69 cm-1 View
  • 27 1791.83 cm-1 View
  • 28 3054.48 cm-1 View
  • 29 3057.03 cm-1 View
  • 30 3065.83 cm-1 View
  • 31 3071.63 cm-1 View
  • 32 3081.29 cm-1 View
  • 33 3888.71 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-5.18kJ mol-1
Polar Solvation Energy-12.45kJ mol-1
Nonpolar Solvation Energy7.27kJ mol-1
Surface Area99.83Å2
Charge of Molecule0
Dipole1.49Debye