Benzene-1,4-diol

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational298.75kJ mol-1
Total (Trans. + Rot. + Vib.)308.66kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational85.84J mol-1 K-1
Total (Trans. + Rot. + Vib.)119.10J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.37J mol-1 K-1
Rotational116.71J mol-1 K-1
Vibrational56.31J mol-1 K-1
Total (Trans. + Rot. + Vib.)340.38J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-275.79kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 134.81 cm-1 View
  • 2 265.21 cm-1 View
  • 3 282.86 cm-1 View
  • 4 342.41 cm-1 View
  • 5 362.77 cm-1 View
  • 6 364.53 cm-1 View
  • 7 467.29 cm-1 View
  • 8 476.93 cm-1 View
  • 9 515.72 cm-1 View
  • 10 648.14 cm-1 View
  • 11 661.59 cm-1 View
  • 12 791.86 cm-1 View
  • 13 831.90 cm-1 View
  • 14 869.03 cm-1 View
  • 15 956.10 cm-1 View
  • 16 981.61 cm-1 View
  • 17 1004.68 cm-1 View
  • 18 1053.89 cm-1 View
  • 19 1136.35 cm-1 View
  • 20 1163.60 cm-1 View
  • 21 1205.42 cm-1 View
  • 22 1240.82 cm-1 View
  • 23 1290.52 cm-1 View
  • 24 1360.27 cm-1 View
  • 25 1397.47 cm-1 View
  • 26 1505.84 cm-1 View
  • 27 1592.14 cm-1 View
  • 28 1632.31 cm-1 View
  • 29 1787.87 cm-1 View
  • 30 1802.59 cm-1 View
  • 31 3051.31 cm-1 View
  • 32 3058.00 cm-1 View
  • 33 3065.39 cm-1 View
  • 34 3072.61 cm-1 View
  • 35 3890.22 cm-1 View
  • 36 3890.73 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-13.02kJ mol-1
Polar Solvation Energy-20.14kJ mol-1
Nonpolar Solvation Energy7.15kJ mol-1
Surface Area109.21Å2
Charge of Molecule0
Dipole2.90Debye