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.)291.32kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational66.95J mol-1 K-1
Total (Trans. + Rot. + Vib.)100.21J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.41J mol-1 K-1
Rotational112.53J mol-1 K-1
Vibrational37.08J mol-1 K-1
Total (Trans. + Rot. + Vib.)315.02J 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
  • 2 305.32 cm-1 View
  • 3 361.67 cm-1 View
  • 4 426.73 cm-1 View
  • 5 476.07 cm-1 View
  • 6 533.73 cm-1 View
  • 7 629.38 cm-1 View
  • 8 634.22 cm-1 View
  • 9 775.19 cm-1 View
  • 10 840.87 cm-1 View
  • 11 875.15 cm-1 View
  • 12 921.46 cm-1 View
  • 13 972.35 cm-1 View
  • 14 1009.04 cm-1 View
  • 15 1047.37 cm-1 View
  • 16 1103.55 cm-1 View
  • 17 1130.20 cm-1 View
  • 18 1151.98 cm-1 View
  • 19 1156.61 cm-1 View
  • 20 1213.01 cm-1 View
  • 21 1272.16 cm-1 View
  • 22 1377.57 cm-1 View
  • 23 1407.89 cm-1 View
  • 24 1569.28 cm-1 View
  • 25 1609.44 cm-1 View
  • 26 1786.72 cm-1 View
  • 27 1791.89 cm-1 View
  • 28 3054.23 cm-1 View
  • 29 3056.86 cm-1 View
  • 30 3065.66 cm-1 View
  • 31 3071.47 cm-1 View
  • 32 3081.18 cm-1 View
  • 33 3887.67 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-5.21kJ mol-1
Polar Solvation Energy-12.46kJ mol-1
Nonpolar Solvation Energy7.23kJ mol-1
Surface Area99.88Å2
Charge of Molecule0
Dipole1.49Debye