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.)351.66kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational73.33J mol-1 K-1
Total (Trans. + Rot. + Vib.)106.59J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.15J mol-1 K-1
Rotational112.77J mol-1 K-1
Vibrational53.19J mol-1 K-1
Total (Trans. + Rot. + Vib.)331.10J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation58.99kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 56.59 cm-1 View
  • 2 192.98 cm-1 View
  • 3 357.56 cm-1 View
  • 4 364.39 cm-1 View
  • 5 449.86 cm-1 View
  • 6 541.19 cm-1 View
  • 7 629.57 cm-1 View
  • 8 634.24 cm-1 View
  • 9 759.84 cm-1 View
  • 10 848.11 cm-1 View
  • 11 866.61 cm-1 View
  • 12 908.17 cm-1 View
  • 13 977.12 cm-1 View
  • 14 987.61 cm-1 View
  • 15 998.54 cm-1 View
  • 16 1035.47 cm-1 View
  • 17 1042.37 cm-1 View
  • 18 1101.50 cm-1 View
  • 19 1116.83 cm-1 View
  • 20 1152.36 cm-1 View
  • 21 1154.01 cm-1 View
  • 22 1221.66 cm-1 View
  • 23 1311.64 cm-1 View
  • 24 1325.44 cm-1 View
  • 25 1391.49 cm-1 View
  • 26 1395.62 cm-1 View
  • 27 1425.63 cm-1 View
  • 28 1542.91 cm-1 View
  • 29 1611.17 cm-1 View
  • 30 1782.31 cm-1 View
  • 31 1800.68 cm-1 View
  • 32 3052.56 cm-1 View
  • 33 3055.19 cm-1 View
  • 34 3062.40 cm-1 View
  • 35 3069.45 cm-1 View
  • 36 3071.83 cm-1 View
  • 37 3076.96 cm-1 View
  • 38 3080.89 cm-1 View
  • 39 3171.28 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy16.23kJ mol-1
Polar Solvation Energy-4.64kJ mol-1
Nonpolar Solvation Energy20.86kJ mol-1
Surface Area94.87Å2
Charge of Molecule0
Dipole0.31Debye