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.)351.65kJ 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
Vibrational52.99J mol-1 K-1
Total (Trans. + Rot. + Vib.)330.91J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation59.00kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 58.21 cm-1 View
  • 2 192.70 cm-1 View
  • 3 357.04 cm-1 View
  • 4 364.02 cm-1 View
  • 5 449.07 cm-1 View
  • 6 541.09 cm-1 View
  • 7 629.63 cm-1 View
  • 8 633.83 cm-1 View
  • 9 760.19 cm-1 View
  • 10 848.32 cm-1 View
  • 11 866.58 cm-1 View
  • 12 908.15 cm-1 View
  • 13 977.02 cm-1 View
  • 14 987.52 cm-1 View
  • 15 998.35 cm-1 View
  • 16 1035.09 cm-1 View
  • 17 1042.24 cm-1 View
  • 18 1101.28 cm-1 View
  • 19 1116.71 cm-1 View
  • 20 1152.12 cm-1 View
  • 21 1153.81 cm-1 View
  • 22 1221.44 cm-1 View
  • 23 1313.06 cm-1 View
  • 24 1325.45 cm-1 View
  • 25 1391.41 cm-1 View
  • 26 1395.71 cm-1 View
  • 27 1425.58 cm-1 View
  • 28 1542.86 cm-1 View
  • 29 1611.17 cm-1 View
  • 30 1782.34 cm-1 View
  • 31 1800.63 cm-1 View
  • 32 3052.50 cm-1 View
  • 33 3055.26 cm-1 View
  • 34 3062.37 cm-1 View
  • 35 3069.36 cm-1 View
  • 36 3071.86 cm-1 View
  • 37 3076.96 cm-1 View
  • 38 3080.76 cm-1 View
  • 39 3171.34 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy3.57kJ mol-1
Polar Solvation Energy-5.45kJ mol-1
Nonpolar Solvation Energy9.03kJ mol-1
Surface Area104.44Å2
Charge of Molecule0
Dipole0.31Debye