5-methylcyclopenta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational253.95kJ mol-1
Total (Trans. + Rot. + Vib.)263.87kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational59.33J mol-1 K-1
Total (Trans. + Rot. + Vib.)92.59J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.09J mol-1 K-1
Rotational107.76J mol-1 K-1
Vibrational32.54J mol-1 K-1
Total (Trans. + Rot. + Vib.)303.39J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation559.97kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 181.12 cm-1 View
  • 2 297.93 cm-1 View
  • 3 428.19 cm-1 View
  • 4 500.60 cm-1 View
  • 5 515.84 cm-1 View
  • 6 735.25 cm-1 View
  • 7 741.20 cm-1 View
  • 8 805.52 cm-1 View
  • 9 816.88 cm-1 View
  • 10 846.13 cm-1 View
  • 11 953.39 cm-1 View
  • 12 963.62 cm-1 View
  • 13 985.17 cm-1 View
  • 14 1001.70 cm-1 View
  • 15 1008.43 cm-1 View
  • 16 1080.43 cm-1 View
  • 17 1089.21 cm-1 View
  • 18 1146.68 cm-1 View
  • 19 1203.85 cm-1 View
  • 20 1313.11 cm-1 View
  • 21 1400.03 cm-1 View
  • 22 1481.69 cm-1 View
  • 23 1725.94 cm-1 View
  • 24 1789.02 cm-1 View
  • 25 2828.60 cm-1 View
  • 26 2972.15 cm-1 View
  • 27 3130.94 cm-1 View
  • 28 3133.67 cm-1 View
  • 29 3145.83 cm-1 View
  • 30 3155.55 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-1.40kJ mol-1
Polar Solvation Energy-15.37kJ mol-1
Nonpolar Solvation Energy13.96kJ mol-1
Surface Area101.60Å2
Charge of Molecule0
Dipole2.06Debye