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
Vibrational92.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)125.85J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.66J mol-1 K-1
Rotational120.04J mol-1 K-1
Vibrational77.56J mol-1 K-1
Total (Trans. + Rot. + Vib.)366.26J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-276.55kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 25.65 cm-1 View
  • 2 143.69 cm-1 View
  • 3 214.40 cm-1 View
  • 4 353.24 cm-1 View
  • 5 358.43 cm-1 View
  • 6 390.22 cm-1 View
  • 7 480.69 cm-1 View
  • 8 522.44 cm-1 View
  • 9 543.53 cm-1 View
  • 10 611.65 cm-1 View
  • 11 627.84 cm-1 View
  • 12 701.74 cm-1 View
  • 13 797.23 cm-1 View
  • 14 808.35 cm-1 View
  • 15 852.03 cm-1 View
  • 16 952.89 cm-1 View
  • 17 983.81 cm-1 View
  • 18 1023.58 cm-1 View
  • 19 1028.50 cm-1 View
  • 20 1104.04 cm-1 View
  • 21 1107.03 cm-1 View
  • 22 1153.78 cm-1 View
  • 23 1165.67 cm-1 View
  • 24 1221.65 cm-1 View
  • 25 1234.78 cm-1 View
  • 26 1285.59 cm-1 View
  • 27 1317.23 cm-1 View
  • 28 1454.36 cm-1 View
  • 29 1542.19 cm-1 View
  • 30 1599.15 cm-1 View
  • 31 1778.51 cm-1 View
  • 32 1793.22 cm-1 View
  • 33 1972.00 cm-1 View
  • 34 3046.10 cm-1 View
  • 35 3051.05 cm-1 View
  • 36 3057.45 cm-1 View
  • 37 3066.59 cm-1 View
  • 38 3077.32 cm-1 View
  • 39 3852.88 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-8.19kJ mol-1
Polar Solvation Energy-19.28kJ mol-1
Nonpolar Solvation Energy11.12kJ mol-1
Surface Area116.57Å2
Charge of Molecule0
Dipole2.89Debye