Benzoic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational313.19kJ mol-1
Total (Trans. + Rot. + Vib.)323.11kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational92.54J mol-1 K-1
Total (Trans. + Rot. + Vib.)125.80J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.66J mol-1 K-1
Rotational120.04J mol-1 K-1
Vibrational76.18J mol-1 K-1
Total (Trans. + Rot. + Vib.)364.87J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-276.54kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 30.67 cm-1 View
  • 2 142.79 cm-1 View
  • 3 212.67 cm-1 View
  • 4 352.24 cm-1 View
  • 5 357.53 cm-1 View
  • 6 384.60 cm-1 View
  • 7 485.99 cm-1 View
  • 8 527.40 cm-1 View
  • 9 544.46 cm-1 View
  • 10 614.87 cm-1 View
  • 11 627.75 cm-1 View
  • 12 702.66 cm-1 View
  • 13 796.93 cm-1 View
  • 14 808.71 cm-1 View
  • 15 852.45 cm-1 View
  • 16 952.69 cm-1 View
  • 17 983.76 cm-1 View
  • 18 1023.49 cm-1 View
  • 19 1028.54 cm-1 View
  • 20 1103.28 cm-1 View
  • 21 1106.11 cm-1 View
  • 22 1153.45 cm-1 View
  • 23 1163.55 cm-1 View
  • 24 1221.23 cm-1 View
  • 25 1234.16 cm-1 View
  • 26 1285.86 cm-1 View
  • 27 1316.94 cm-1 View
  • 28 1453.91 cm-1 View
  • 29 1541.92 cm-1 View
  • 30 1599.46 cm-1 View
  • 31 1778.78 cm-1 View
  • 32 1793.33 cm-1 View
  • 33 1973.11 cm-1 View
  • 34 3046.98 cm-1 View
  • 35 3051.27 cm-1 View
  • 36 3057.51 cm-1 View
  • 37 3066.77 cm-1 View
  • 38 3077.36 cm-1 View
  • 39 3852.50 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-9.04kJ mol-1
Polar Solvation Energy-19.59kJ mol-1
Nonpolar Solvation Energy10.53kJ mol-1
Surface Area119.94Å2
Charge of Molecule0
Dipole2.87Debye