4-fluorophenol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational265.66kJ mol-1
Total (Trans. + Rot. + Vib.)275.58kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational77.29J mol-1 K-1
Total (Trans. + Rot. + Vib.)110.55J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.60J mol-1 K-1
Rotational116.88J mol-1 K-1
Vibrational48.40J mol-1 K-1
Total (Trans. + Rot. + Vib.)332.88J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-271.53kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 137.47 cm-1 View
  • 2 296.37 cm-1 View
  • 3 348.20 cm-1 View
  • 4 366.01 cm-1 View
  • 5 370.22 cm-1 View
  • 6 462.74 cm-1 View
  • 7 487.31 cm-1 View
  • 8 518.44 cm-1 View
  • 9 648.59 cm-1 View
  • 10 665.10 cm-1 View
  • 11 798.26 cm-1 View
  • 12 839.15 cm-1 View
  • 13 875.20 cm-1 View
  • 14 970.14 cm-1 View
  • 15 986.80 cm-1 View
  • 16 1013.65 cm-1 View
  • 17 1054.44 cm-1 View
  • 18 1134.55 cm-1 View
  • 19 1162.16 cm-1 View
  • 20 1211.31 cm-1 View
  • 21 1267.36 cm-1 View
  • 22 1316.73 cm-1 View
  • 23 1382.85 cm-1 View
  • 24 1544.09 cm-1 View
  • 25 1570.55 cm-1 View
  • 26 1689.25 cm-1 View
  • 27 1773.27 cm-1 View
  • 28 1820.32 cm-1 View
  • 29 3054.81 cm-1 View
  • 30 3059.15 cm-1 View
  • 31 3071.78 cm-1 View
  • 32 3075.06 cm-1 View
  • 33 3885.86 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy4.39kJ mol-1
Polar Solvation Energy-15.38kJ mol-1
Nonpolar Solvation Energy19.77kJ mol-1
Surface Area98.36Å2
Charge of Molecule0
Dipole2.36Debye