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
Vibrational73.35J mol-1 K-1
Total (Trans. + Rot. + Vib.)106.61J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.15J mol-1 K-1
Rotational112.77J mol-1 K-1
Vibrational53.27J mol-1 K-1
Total (Trans. + Rot. + Vib.)331.18J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation59.03kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 56.26 cm-1 View
  • 2 192.80 cm-1 View
  • 3 357.15 cm-1 View
  • 4 363.92 cm-1 View
  • 5 449.17 cm-1 View
  • 6 541.14 cm-1 View
  • 7 629.61 cm-1 View
  • 8 633.89 cm-1 View
  • 9 760.22 cm-1 View
  • 10 848.30 cm-1 View
  • 11 866.62 cm-1 View
  • 12 908.13 cm-1 View
  • 13 977.01 cm-1 View
  • 14 987.41 cm-1 View
  • 15 998.29 cm-1 View
  • 16 1035.09 cm-1 View
  • 17 1042.13 cm-1 View
  • 18 1101.18 cm-1 View
  • 19 1116.66 cm-1 View
  • 20 1151.92 cm-1 View
  • 21 1153.66 cm-1 View
  • 22 1221.24 cm-1 View
  • 23 1312.90 cm-1 View
  • 24 1325.39 cm-1 View
  • 25 1391.31 cm-1 View
  • 26 1395.59 cm-1 View
  • 27 1425.44 cm-1 View
  • 28 1542.89 cm-1 View
  • 29 1611.23 cm-1 View
  • 30 1782.45 cm-1 View
  • 31 1800.69 cm-1 View
  • 32 3052.54 cm-1 View
  • 33 3055.34 cm-1 View
  • 34 3062.47 cm-1 View
  • 35 3069.47 cm-1 View
  • 36 3072.39 cm-1 View
  • 37 3077.18 cm-1 View
  • 38 3080.95 cm-1 View
  • 39 3171.59 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy15.34kJ mol-1
Polar Solvation Energy-5.15kJ mol-1
Nonpolar Solvation Energy20.48kJ mol-1
Surface Area92.35Å2
Charge of Molecule0
Dipole0.30Debye