Methylbenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational341.72kJ 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
Vibrational73.34J mol-1 K-1
Total (Trans. + Rot. + Vib.)106.59J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.15J mol-1 K-1
Rotational112.77J mol-1 K-1
Vibrational51.81J mol-1 K-1
Total (Trans. + Rot. + Vib.)329.72J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation59.01kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 67.23 cm-1 View
  • 2 192.71 cm-1 View
  • 3 356.88 cm-1 View
  • 4 364.01 cm-1 View
  • 5 449.04 cm-1 View
  • 6 541.09 cm-1 View
  • 7 629.59 cm-1 View
  • 8 633.80 cm-1 View
  • 9 760.07 cm-1 View
  • 10 848.20 cm-1 View
  • 11 866.59 cm-1 View
  • 12 908.17 cm-1 View
  • 13 976.94 cm-1 View
  • 14 987.80 cm-1 View
  • 15 998.37 cm-1 View
  • 16 1035.16 cm-1 View
  • 17 1042.13 cm-1 View
  • 18 1101.27 cm-1 View
  • 19 1116.70 cm-1 View
  • 20 1152.08 cm-1 View
  • 21 1153.76 cm-1 View
  • 22 1221.36 cm-1 View
  • 23 1312.91 cm-1 View
  • 24 1325.54 cm-1 View
  • 25 1391.66 cm-1 View
  • 26 1395.40 cm-1 View
  • 27 1425.50 cm-1 View
  • 28 1542.87 cm-1 View
  • 29 1611.19 cm-1 View
  • 30 1782.35 cm-1 View
  • 31 1800.66 cm-1 View
  • 32 3052.40 cm-1 View
  • 33 3055.19 cm-1 View
  • 34 3062.29 cm-1 View
  • 35 3069.36 cm-1 View
  • 36 3070.92 cm-1 View
  • 37 3076.48 cm-1 View
  • 38 3080.73 cm-1 View
  • 39 3170.41 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy4.36kJ mol-1
Polar Solvation Energy-5.40kJ mol-1
Nonpolar Solvation Energy9.78kJ mol-1
Surface Area103.63Å2
Charge of Molecule0
Dipole0.31Debye