Methylbenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational341.73kJ mol-1
Total (Trans. + Rot. + Vib.)351.64kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational73.36J mol-1 K-1
Total (Trans. + Rot. + Vib.)106.62J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.15J mol-1 K-1
Rotational112.77J mol-1 K-1
Vibrational53.44J mol-1 K-1
Total (Trans. + Rot. + Vib.)331.35J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation59.03kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 55.28 cm-1 View
  • 2 192.53 cm-1 View
  • 3 356.92 cm-1 View
  • 4 363.76 cm-1 View
  • 5 448.96 cm-1 View
  • 6 541.08 cm-1 View
  • 7 629.63 cm-1 View
  • 8 633.78 cm-1 View
  • 9 760.07 cm-1 View
  • 10 848.24 cm-1 View
  • 11 866.61 cm-1 View
  • 12 908.09 cm-1 View
  • 13 976.99 cm-1 View
  • 14 987.44 cm-1 View
  • 15 998.29 cm-1 View
  • 16 1035.07 cm-1 View
  • 17 1042.14 cm-1 View
  • 18 1101.21 cm-1 View
  • 19 1116.69 cm-1 View
  • 20 1152.07 cm-1 View
  • 21 1153.77 cm-1 View
  • 22 1221.35 cm-1 View
  • 23 1313.04 cm-1 View
  • 24 1325.49 cm-1 View
  • 25 1391.53 cm-1 View
  • 26 1395.53 cm-1 View
  • 27 1425.47 cm-1 View
  • 28 1542.91 cm-1 View
  • 29 1611.19 cm-1 View
  • 30 1782.32 cm-1 View
  • 31 1800.70 cm-1 View
  • 32 3052.38 cm-1 View
  • 33 3055.25 cm-1 View
  • 34 3062.36 cm-1 View
  • 35 3069.29 cm-1 View
  • 36 3071.89 cm-1 View
  • 37 3077.04 cm-1 View
  • 38 3080.74 cm-1 View
  • 39 3171.32 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy2.66kJ mol-1
Polar Solvation Energy-5.42kJ mol-1
Nonpolar Solvation Energy8.07kJ mol-1
Surface Area106.91Å2
Charge of Molecule0
Dipole0.31Debye