Benzoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational313.17kJ mol-1
Total (Trans. + Rot. + Vib.)323.08kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational92.57J mol-1 K-1
Total (Trans. + Rot. + Vib.)125.83J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.66J mol-1 K-1
Rotational120.04J mol-1 K-1
Vibrational78.49J mol-1 K-1
Total (Trans. + Rot. + Vib.)367.19J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-276.56kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 22.11 cm-1 View
  • 2 146.23 cm-1 View
  • 3 216.69 cm-1 View
  • 4 354.37 cm-1 View
  • 5 360.73 cm-1 View
  • 6 401.95 cm-1 View
  • 7 470.87 cm-1 View
  • 8 520.84 cm-1 View
  • 9 542.02 cm-1 View
  • 10 607.31 cm-1 View
  • 11 627.97 cm-1 View
  • 12 700.85 cm-1 View
  • 13 797.91 cm-1 View
  • 14 807.70 cm-1 View
  • 15 851.87 cm-1 View
  • 16 953.67 cm-1 View
  • 17 984.24 cm-1 View
  • 18 1024.24 cm-1 View
  • 19 1028.41 cm-1 View
  • 20 1105.17 cm-1 View
  • 21 1108.40 cm-1 View
  • 22 1154.37 cm-1 View
  • 23 1169.10 cm-1 View
  • 24 1221.00 cm-1 View
  • 25 1235.70 cm-1 View
  • 26 1285.33 cm-1 View
  • 27 1316.75 cm-1 View
  • 28 1455.11 cm-1 View
  • 29 1542.53 cm-1 View
  • 30 1598.60 cm-1 View
  • 31 1778.08 cm-1 View
  • 32 1792.98 cm-1 View
  • 33 1969.55 cm-1 View
  • 34 3044.28 cm-1 View
  • 35 3050.36 cm-1 View
  • 36 3057.12 cm-1 View
  • 37 3066.37 cm-1 View
  • 38 3077.19 cm-1 View
  • 39 3853.31 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-0.64kJ mol-1
Polar Solvation Energy-18.74kJ mol-1
Nonpolar Solvation Energy18.10kJ mol-1
Surface Area108.65Å2
Charge of Molecule0
Dipole2.92Debye