Methylbenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational273.54kJ mol-1
Total (Trans. + Rot. + Vib.)283.46kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational68.39J mol-1 K-1
Total (Trans. + Rot. + Vib.)101.64J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.87J mol-1 K-1
Rotational111.93J mol-1 K-1
Vibrational40.10J mol-1 K-1
Total (Trans. + Rot. + Vib.)316.90J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation503.04kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 184.59 cm-1 View
  • 2 248.27 cm-1 View
  • 3 378.43 cm-1 View
  • 4 385.48 cm-1 View
  • 5 441.40 cm-1 View
  • 6 545.91 cm-1 View
  • 7 624.66 cm-1 View
  • 8 635.89 cm-1 View
  • 9 772.13 cm-1 View
  • 10 851.47 cm-1 View
  • 11 891.95 cm-1 View
  • 12 957.19 cm-1 View
  • 13 991.66 cm-1 View
  • 14 1021.02 cm-1 View
  • 15 1030.16 cm-1 View
  • 16 1044.89 cm-1 View
  • 17 1097.02 cm-1 View
  • 18 1137.81 cm-1 View
  • 19 1149.38 cm-1 View
  • 20 1154.39 cm-1 View
  • 21 1215.86 cm-1 View
  • 22 1341.58 cm-1 View
  • 23 1408.65 cm-1 View
  • 24 1529.01 cm-1 View
  • 25 1598.66 cm-1 View
  • 26 1757.62 cm-1 View
  • 27 1777.53 cm-1 View
  • 28 2960.89 cm-1 View
  • 29 3043.52 cm-1 View
  • 30 3045.89 cm-1 View
  • 31 3052.54 cm-1 View
  • 32 3066.13 cm-1 View
  • 33 3075.14 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-9.63kJ mol-1
Polar Solvation Energy-18.79kJ mol-1
Nonpolar Solvation Energy9.15kJ mol-1
Surface Area107.19Å2
Charge of Molecule0
Dipole4.31Debye