Benzoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational313.18kJ 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
Vibrational92.58J 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
Vibrational77.98J mol-1 K-1
Total (Trans. + Rot. + Vib.)366.68J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-276.59kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 24.11 cm-1 View
  • 2 144.73 cm-1 View
  • 3 214.96 cm-1 View
  • 4 353.13 cm-1 View
  • 5 358.68 cm-1 View
  • 6 393.24 cm-1 View
  • 7 478.44 cm-1 View
  • 8 522.40 cm-1 View
  • 9 542.92 cm-1 View
  • 10 610.42 cm-1 View
  • 11 627.91 cm-1 View
  • 12 702.07 cm-1 View
  • 13 797.62 cm-1 View
  • 14 808.15 cm-1 View
  • 15 852.36 cm-1 View
  • 16 953.34 cm-1 View
  • 17 983.95 cm-1 View
  • 18 1023.72 cm-1 View
  • 19 1028.52 cm-1 View
  • 20 1104.35 cm-1 View
  • 21 1107.32 cm-1 View
  • 22 1153.82 cm-1 View
  • 23 1166.58 cm-1 View
  • 24 1221.36 cm-1 View
  • 25 1234.78 cm-1 View
  • 26 1285.61 cm-1 View
  • 27 1317.65 cm-1 View
  • 28 1454.87 cm-1 View
  • 29 1542.28 cm-1 View
  • 30 1599.11 cm-1 View
  • 31 1778.38 cm-1 View
  • 32 1793.20 cm-1 View
  • 33 1971.13 cm-1 View
  • 34 3045.56 cm-1 View
  • 35 3050.88 cm-1 View
  • 36 3057.38 cm-1 View
  • 37 3066.54 cm-1 View
  • 38 3077.31 cm-1 View
  • 39 3852.85 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-7.38kJ mol-1
Polar Solvation Energy-18.94kJ mol-1
Nonpolar Solvation Energy11.58kJ mol-1
Surface Area116.63Å2
Charge of Molecule0
Dipole2.89Debye