Methylbenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational341.75kJ mol-1
Total (Trans. + Rot. + Vib.)351.67kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational73.29J mol-1 K-1
Total (Trans. + Rot. + Vib.)106.55J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.15J mol-1 K-1
Rotational112.77J mol-1 K-1
Vibrational51.91J mol-1 K-1
Total (Trans. + Rot. + Vib.)329.83J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation58.98kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 65.85 cm-1 View
  • 2 193.11 cm-1 View
  • 3 357.65 cm-1 View
  • 4 365.13 cm-1 View
  • 5 449.97 cm-1 View
  • 6 541.26 cm-1 View
  • 7 629.57 cm-1 View
  • 8 634.34 cm-1 View
  • 9 759.91 cm-1 View
  • 10 848.16 cm-1 View
  • 11 866.68 cm-1 View
  • 12 908.23 cm-1 View
  • 13 977.15 cm-1 View
  • 14 988.20 cm-1 View
  • 15 998.66 cm-1 View
  • 16 1035.46 cm-1 View
  • 17 1042.69 cm-1 View
  • 18 1101.66 cm-1 View
  • 19 1116.88 cm-1 View
  • 20 1152.52 cm-1 View
  • 21 1154.17 cm-1 View
  • 22 1221.92 cm-1 View
  • 23 1311.64 cm-1 View
  • 24 1325.51 cm-1 View
  • 25 1391.59 cm-1 View
  • 26 1395.66 cm-1 View
  • 27 1425.97 cm-1 View
  • 28 1542.90 cm-1 View
  • 29 1611.19 cm-1 View
  • 30 1782.28 cm-1 View
  • 31 1800.64 cm-1 View
  • 32 3052.59 cm-1 View
  • 33 3055.15 cm-1 View
  • 34 3062.42 cm-1 View
  • 35 3069.30 cm-1 View
  • 36 3070.63 cm-1 View
  • 37 3076.32 cm-1 View
  • 38 3080.79 cm-1 View
  • 39 3170.27 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 Area93.66Å2
Charge of Molecule0
Dipole0.31Debye