Phenol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational281.24kJ mol-1
Total (Trans. + Rot. + Vib.)291.16kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational67.30J mol-1 K-1
Total (Trans. + Rot. + Vib.)100.56J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.41J mol-1 K-1
Rotational112.53J mol-1 K-1
Vibrational38.35J mol-1 K-1
Total (Trans. + Rot. + Vib.)316.30J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-89.85kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 199.78 cm-1 View
  • 2 260.36 cm-1 View
  • 3 362.76 cm-1 View
  • 4 429.00 cm-1 View
  • 5 477.03 cm-1 View
  • 6 533.37 cm-1 View
  • 7 629.13 cm-1 View
  • 8 634.40 cm-1 View
  • 9 775.63 cm-1 View
  • 10 841.32 cm-1 View
  • 11 874.58 cm-1 View
  • 12 922.03 cm-1 View
  • 13 972.90 cm-1 View
  • 14 1009.70 cm-1 View
  • 15 1048.71 cm-1 View
  • 16 1105.25 cm-1 View
  • 17 1130.20 cm-1 View
  • 18 1152.62 cm-1 View
  • 19 1158.35 cm-1 View
  • 20 1210.54 cm-1 View
  • 21 1266.54 cm-1 View
  • 22 1368.15 cm-1 View
  • 23 1403.32 cm-1 View
  • 24 1567.17 cm-1 View
  • 25 1607.65 cm-1 View
  • 26 1784.92 cm-1 View
  • 27 1790.74 cm-1 View
  • 28 3051.09 cm-1 View
  • 29 3058.87 cm-1 View
  • 30 3065.34 cm-1 View
  • 31 3070.76 cm-1 View
  • 32 3081.22 cm-1 View
  • 33 3903.04 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy2.25kJ mol-1
Polar Solvation Energy-11.92kJ mol-1
Nonpolar Solvation Energy14.17kJ mol-1
Surface Area92.27Å2
Charge of Molecule0
Dipole1.47Debye