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.)351.65kJ 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.)106.60J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.15J mol-1 K-1
Rotational112.77J mol-1 K-1
Vibrational52.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)330.66J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation59.03kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 60.04 cm-1 View
  • 2 192.59 cm-1 View
  • 3 356.46 cm-1 View
  • 4 364.01 cm-1 View
  • 5 449.55 cm-1 View
  • 6 541.07 cm-1 View
  • 7 629.65 cm-1 View
  • 8 633.93 cm-1 View
  • 9 760.12 cm-1 View
  • 10 848.28 cm-1 View
  • 11 866.58 cm-1 View
  • 12 908.15 cm-1 View
  • 13 976.89 cm-1 View
  • 14 987.64 cm-1 View
  • 15 998.40 cm-1 View
  • 16 1035.21 cm-1 View
  • 17 1042.20 cm-1 View
  • 18 1101.27 cm-1 View
  • 19 1116.69 cm-1 View
  • 20 1152.08 cm-1 View
  • 21 1153.81 cm-1 View
  • 22 1221.41 cm-1 View
  • 23 1313.03 cm-1 View
  • 24 1325.45 cm-1 View
  • 25 1391.39 cm-1 View
  • 26 1395.71 cm-1 View
  • 27 1425.54 cm-1 View
  • 28 1542.89 cm-1 View
  • 29 1611.18 cm-1 View
  • 30 1782.34 cm-1 View
  • 31 1800.66 cm-1 View
  • 32 3052.44 cm-1 View
  • 33 3055.25 cm-1 View
  • 34 3062.34 cm-1 View
  • 35 3069.36 cm-1 View
  • 36 3071.61 cm-1 View
  • 37 3076.79 cm-1 View
  • 38 3080.79 cm-1 View
  • 39 3171.02 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy4.01kJ mol-1
Polar Solvation Energy-5.36kJ mol-1
Nonpolar Solvation Energy9.36kJ mol-1
Surface Area102.43Å2
Charge of Molecule0
Dipole0.31Debye