Methylbenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational341.74kJ 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
Vibrational73.34J mol-1 K-1
Total (Trans. + Rot. + Vib.)106.60J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.15J mol-1 K-1
Rotational112.77J mol-1 K-1
Vibrational53.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)331.33J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation58.99kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 55.12 cm-1 View
  • 2 192.97 cm-1 View
  • 3 357.64 cm-1 View
  • 4 363.98 cm-1 View
  • 5 449.84 cm-1 View
  • 6 541.16 cm-1 View
  • 7 629.58 cm-1 View
  • 8 634.20 cm-1 View
  • 9 759.93 cm-1 View
  • 10 848.15 cm-1 View
  • 11 866.63 cm-1 View
  • 12 908.13 cm-1 View
  • 13 977.15 cm-1 View
  • 14 987.43 cm-1 View
  • 15 998.56 cm-1 View
  • 16 1035.49 cm-1 View
  • 17 1042.29 cm-1 View
  • 18 1101.43 cm-1 View
  • 19 1116.82 cm-1 View
  • 20 1152.31 cm-1 View
  • 21 1154.04 cm-1 View
  • 22 1221.56 cm-1 View
  • 23 1311.66 cm-1 View
  • 24 1325.45 cm-1 View
  • 25 1391.52 cm-1 View
  • 26 1395.56 cm-1 View
  • 27 1425.53 cm-1 View
  • 28 1542.90 cm-1 View
  • 29 1611.25 cm-1 View
  • 30 1782.40 cm-1 View
  • 31 1800.67 cm-1 View
  • 32 3052.44 cm-1 View
  • 33 3055.20 cm-1 View
  • 34 3062.34 cm-1 View
  • 35 3069.30 cm-1 View
  • 36 3071.79 cm-1 View
  • 37 3077.17 cm-1 View
  • 38 3080.74 cm-1 View
  • 39 3171.41 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy15.05kJ mol-1
Polar Solvation Energy-4.65kJ mol-1
Nonpolar Solvation Energy19.69kJ mol-1
Surface Area95.01Å2
Charge of Molecule0
Dipole0.31Debye