Cyclohexa-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational322.98kJ mol-1
Total (Trans. + Rot. + Vib.)332.89kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational59.45J mol-1 K-1
Total (Trans. + Rot. + Vib.)92.71J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.41J mol-1 K-1
Rotational108.52J mol-1 K-1
Vibrational34.52J mol-1 K-1
Total (Trans. + Rot. + Vib.)306.45J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation85.11kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 124.04 cm-1 View
  • 2 282.14 cm-1 View
  • 3 461.84 cm-1 View
  • 4 521.29 cm-1 View
  • 5 576.78 cm-1 View
  • 6 705.59 cm-1 View
  • 7 791.02 cm-1 View
  • 8 802.04 cm-1 View
  • 9 931.99 cm-1 View
  • 10 943.03 cm-1 View
  • 11 964.85 cm-1 View
  • 12 970.44 cm-1 View
  • 13 1009.14 cm-1 View
  • 14 1030.26 cm-1 View
  • 15 1074.96 cm-1 View
  • 16 1079.57 cm-1 View
  • 17 1109.26 cm-1 View
  • 18 1117.07 cm-1 View
  • 19 1150.08 cm-1 View
  • 20 1163.91 cm-1 View
  • 21 1229.64 cm-1 View
  • 22 1348.53 cm-1 View
  • 23 1359.33 cm-1 View
  • 24 1402.13 cm-1 View
  • 25 1404.87 cm-1 View
  • 26 1453.43 cm-1 View
  • 27 1842.69 cm-1 View
  • 28 1859.38 cm-1 View
  • 29 2934.71 cm-1 View
  • 30 2947.90 cm-1 View
  • 31 3023.26 cm-1 View
  • 32 3029.08 cm-1 View
  • 33 3054.50 cm-1 View
  • 34 3057.18 cm-1 View
  • 35 3071.53 cm-1 View
  • 36 3081.04 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy8.62kJ mol-1
Polar Solvation Energy-4.23kJ mol-1
Nonpolar Solvation Energy12.87kJ mol-1
Surface Area96.47Å2
Charge of Molecule0
Dipole0.54Debye