Benzonitrile

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational267.75kJ mol-1
Total (Trans. + Rot. + Vib.)277.66kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational72.27J mol-1 K-1
Total (Trans. + Rot. + Vib.)105.53J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.55J mol-1 K-1
Rotational116.27J mol-1 K-1
Vibrational46.26J mol-1 K-1
Total (Trans. + Rot. + Vib.)329.08J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation244.47kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 141.16 cm-1 View
  • 2 185.52 cm-1 View
  • 3 356.44 cm-1 View
  • 4 363.99 cm-1 View
  • 5 486.84 cm-1 View
  • 6 549.32 cm-1 View
  • 7 592.47 cm-1 View
  • 8 631.71 cm-1 View
  • 9 655.61 cm-1 View
  • 10 784.82 cm-1 View
  • 11 831.64 cm-1 View
  • 12 849.65 cm-1 View
  • 13 945.41 cm-1 View
  • 14 981.30 cm-1 View
  • 15 1021.45 cm-1 View
  • 16 1035.95 cm-1 View
  • 17 1099.11 cm-1 View
  • 18 1112.50 cm-1 View
  • 19 1151.07 cm-1 View
  • 20 1152.52 cm-1 View
  • 21 1217.06 cm-1 View
  • 22 1309.51 cm-1 View
  • 23 1357.22 cm-1 View
  • 24 1537.78 cm-1 View
  • 25 1601.17 cm-1 View
  • 26 1774.07 cm-1 View
  • 27 1793.24 cm-1 View
  • 28 2470.87 cm-1 View
  • 29 3053.26 cm-1 View
  • 30 3056.46 cm-1 View
  • 31 3063.30 cm-1 View
  • 32 3069.60 cm-1 View
  • 33 3078.54 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy5.65kJ mol-1
Polar Solvation Energy-15.57kJ mol-1
Nonpolar Solvation Energy21.23kJ mol-1
Surface Area106.08Å2
Charge of Molecule0
Dipole4.63Debye