Methylbenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational341.76kJ mol-1
Total (Trans. + Rot. + Vib.)351.68kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational73.31J mol-1 K-1
Total (Trans. + Rot. + Vib.)106.57J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.15J mol-1 K-1
Rotational112.77J mol-1 K-1
Vibrational52.87J mol-1 K-1
Total (Trans. + Rot. + Vib.)330.79J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation58.98kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 58.68 cm-1 View
  • 2 192.92 cm-1 View
  • 3 357.65 cm-1 View
  • 4 365.07 cm-1 View
  • 5 449.89 cm-1 View
  • 6 541.27 cm-1 View
  • 7 629.58 cm-1 View
  • 8 634.32 cm-1 View
  • 9 759.90 cm-1 View
  • 10 848.17 cm-1 View
  • 11 866.69 cm-1 View
  • 12 908.16 cm-1 View
  • 13 977.16 cm-1 View
  • 14 987.91 cm-1 View
  • 15 998.57 cm-1 View
  • 16 1035.32 cm-1 View
  • 17 1042.71 cm-1 View
  • 18 1101.70 cm-1 View
  • 19 1116.90 cm-1 View
  • 20 1152.53 cm-1 View
  • 21 1154.19 cm-1 View
  • 22 1221.95 cm-1 View
  • 23 1311.66 cm-1 View
  • 24 1325.44 cm-1 View
  • 25 1391.59 cm-1 View
  • 26 1395.60 cm-1 View
  • 27 1425.92 cm-1 View
  • 28 1542.91 cm-1 View
  • 29 1611.21 cm-1 View
  • 30 1782.33 cm-1 View
  • 31 1800.65 cm-1 View
  • 32 3052.56 cm-1 View
  • 33 3055.13 cm-1 View
  • 34 3062.35 cm-1 View
  • 35 3069.30 cm-1 View
  • 36 3071.58 cm-1 View
  • 37 3077.21 cm-1 View
  • 38 3080.76 cm-1 View
  • 39 3171.28 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy16.39kJ mol-1
Polar Solvation Energy-4.65kJ mol-1
Nonpolar Solvation Energy21.03kJ mol-1
Surface Area93.55Å2
Charge of Molecule0
Dipole0.31Debye