Ethylbenzene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational418.44kJ mol-1
Total (Trans. + Rot. + Vib.)428.36kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational93.45J mol-1 K-1
Total (Trans. + Rot. + Vib.)126.71J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.92J mol-1 K-1
Rotational117.36J mol-1 K-1
Vibrational76.68J mol-1 K-1
Total (Trans. + Rot. + Vib.)360.96J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation44.23kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 24.74 cm-1 View
  • 2 169.06 cm-1 View
  • 3 230.44 cm-1 View
  • 4 248.16 cm-1 View
  • 5 355.58 cm-1 View
  • 6 427.06 cm-1 View
  • 7 446.28 cm-1 View
  • 8 554.35 cm-1 View
  • 9 629.13 cm-1 View
  • 10 631.12 cm-1 View
  • 11 747.17 cm-1 View
  • 12 825.21 cm-1 View
  • 13 832.02 cm-1 View
  • 14 846.82 cm-1 View
  • 15 928.91 cm-1 View
  • 16 975.69 cm-1 View
  • 17 1003.00 cm-1 View
  • 18 1008.02 cm-1 View
  • 19 1049.56 cm-1 View
  • 20 1049.69 cm-1 View
  • 21 1104.39 cm-1 View
  • 22 1111.91 cm-1 View
  • 23 1132.30 cm-1 View
  • 24 1137.92 cm-1 View
  • 25 1153.59 cm-1 View
  • 26 1166.08 cm-1 View
  • 27 1227.15 cm-1 View
  • 28 1255.79 cm-1 View
  • 29 1317.26 cm-1 View
  • 30 1361.95 cm-1 View
  • 31 1393.72 cm-1 View
  • 32 1411.24 cm-1 View
  • 33 1414.23 cm-1 View
  • 34 1431.12 cm-1 View
  • 35 1542.06 cm-1 View
  • 36 1604.98 cm-1 View
  • 37 1779.96 cm-1 View
  • 38 1800.48 cm-1 View
  • 39 2935.56 cm-1 View
  • 40 3015.95 cm-1 View
  • 41 3047.30 cm-1 View
  • 42 3052.51 cm-1 View
  • 43 3060.88 cm-1 View
  • 44 3067.58 cm-1 View
  • 45 3079.09 cm-1 View
  • 46 3079.69 cm-1 View
  • 47 3080.51 cm-1 View
  • 48 3179.93 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy7.60kJ mol-1
Polar Solvation Energy-5.71kJ mol-1
Nonpolar Solvation Energy13.29kJ mol-1
Surface Area113.94Å2
Charge of Molecule0
Dipole0.39Debye