Methylbenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational341.75kJ mol-1
Total (Trans. + Rot. + Vib.)351.67kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational73.31J mol-1 K-1
Total (Trans. + Rot. + Vib.)106.57J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.15J mol-1 K-1
Rotational112.77J mol-1 K-1
Vibrational52.79J mol-1 K-1
Total (Trans. + Rot. + Vib.)330.70J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation58.98kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 59.31 cm-1 View
  • 2 193.01 cm-1 View
  • 3 357.67 cm-1 View
  • 4 364.71 cm-1 View
  • 5 449.90 cm-1 View
  • 6 541.24 cm-1 View
  • 7 629.58 cm-1 View
  • 8 634.32 cm-1 View
  • 9 759.94 cm-1 View
  • 10 848.22 cm-1 View
  • 11 866.66 cm-1 View
  • 12 908.20 cm-1 View
  • 13 977.19 cm-1 View
  • 14 987.82 cm-1 View
  • 15 998.60 cm-1 View
  • 16 1035.42 cm-1 View
  • 17 1042.56 cm-1 View
  • 18 1101.61 cm-1 View
  • 19 1116.87 cm-1 View
  • 20 1152.49 cm-1 View
  • 21 1154.13 cm-1 View
  • 22 1221.83 cm-1 View
  • 23 1311.64 cm-1 View
  • 24 1325.42 cm-1 View
  • 25 1391.58 cm-1 View
  • 26 1395.52 cm-1 View
  • 27 1425.73 cm-1 View
  • 28 1542.90 cm-1 View
  • 29 1611.18 cm-1 View
  • 30 1782.28 cm-1 View
  • 31 1800.67 cm-1 View
  • 32 3052.41 cm-1 View
  • 33 3055.03 cm-1 View
  • 34 3062.30 cm-1 View
  • 35 3069.19 cm-1 View
  • 36 3071.41 cm-1 View
  • 37 3077.09 cm-1 View
  • 38 3080.70 cm-1 View
  • 39 3171.08 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy16.39kJ mol-1
Polar Solvation Energy-4.65kJ mol-1
Nonpolar Solvation Energy21.03kJ mol-1
Surface Area94.16Å2
Charge of Molecule0
Dipole0.31Debye