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.)323.09kJ 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.)125.82J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.66J mol-1 K-1
Rotational120.04J mol-1 K-1
Vibrational78.62J mol-1 K-1
Total (Trans. + Rot. + Vib.)367.32J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-276.56kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 21.77 cm-1 View
  • 2 146.23 cm-1 View
  • 3 216.65 cm-1 View
  • 4 354.36 cm-1 View
  • 5 360.56 cm-1 View
  • 6 401.91 cm-1 View
  • 7 470.92 cm-1 View
  • 8 521.71 cm-1 View
  • 9 541.72 cm-1 View
  • 10 607.32 cm-1 View
  • 11 627.96 cm-1 View
  • 12 700.78 cm-1 View
  • 13 797.88 cm-1 View
  • 14 807.73 cm-1 View
  • 15 851.86 cm-1 View
  • 16 953.57 cm-1 View
  • 17 984.22 cm-1 View
  • 18 1024.23 cm-1 View
  • 19 1028.45 cm-1 View
  • 20 1105.24 cm-1 View
  • 21 1108.32 cm-1 View
  • 22 1154.40 cm-1 View
  • 23 1169.07 cm-1 View
  • 24 1221.01 cm-1 View
  • 25 1235.64 cm-1 View
  • 26 1285.41 cm-1 View
  • 27 1316.76 cm-1 View
  • 28 1455.50 cm-1 View
  • 29 1542.54 cm-1 View
  • 30 1598.80 cm-1 View
  • 31 1778.04 cm-1 View
  • 32 1793.02 cm-1 View
  • 33 1969.70 cm-1 View
  • 34 3044.55 cm-1 View
  • 35 3050.52 cm-1 View
  • 36 3057.34 cm-1 View
  • 37 3066.24 cm-1 View
  • 38 3077.23 cm-1 View
  • 39 3852.88 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-0.67kJ mol-1
Polar Solvation Energy-18.74kJ mol-1
Nonpolar Solvation Energy18.06kJ mol-1
Surface Area108.67Å2
Charge of Molecule0
Dipole2.92Debye