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.)100.22J 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-90.56kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 204.72 cm-1 View
  • 2 304.26 cm-1 View
  • 3 361.52 cm-1 View
  • 4 426.65 cm-1 View
  • 5 476.00 cm-1 View
  • 6 533.72 cm-1 View
  • 7 629.35 cm-1 View
  • 8 634.11 cm-1 View
  • 9 775.16 cm-1 View
  • 10 840.77 cm-1 View
  • 11 875.10 cm-1 View
  • 12 921.39 cm-1 View
  • 13 972.29 cm-1 View
  • 14 1009.02 cm-1 View
  • 15 1047.39 cm-1 View
  • 16 1103.62 cm-1 View
  • 17 1130.21 cm-1 View
  • 18 1152.01 cm-1 View
  • 19 1156.63 cm-1 View
  • 20 1213.03 cm-1 View
  • 21 1272.36 cm-1 View
  • 22 1377.26 cm-1 View
  • 23 1407.93 cm-1 View
  • 24 1569.32 cm-1 View
  • 25 1609.48 cm-1 View
  • 26 1786.72 cm-1 View
  • 27 1791.93 cm-1 View
  • 28 3054.17 cm-1 View
  • 29 3056.76 cm-1 View
  • 30 3065.61 cm-1 View
  • 31 3071.40 cm-1 View
  • 32 3081.12 cm-1 View
  • 33 3887.74 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-5.12kJ mol-1
Polar Solvation Energy-12.26kJ mol-1
Nonpolar Solvation Energy7.15kJ mol-1
Surface Area100.14Å2
Charge of Molecule0
Dipole1.48Debye