Hexa-1,3,5-triene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational317.55kJ mol-1
Total (Trans. + Rot. + Vib.)327.47kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational76.88J mol-1 K-1
Total (Trans. + Rot. + Vib.)110.14J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.41J mol-1 K-1
Rotational110.28J mol-1 K-1
Vibrational67.62J mol-1 K-1
Total (Trans. + Rot. + Vib.)341.30J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation188.36kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 66.17 cm-1 View
  • 2 111.83 cm-1 View
  • 3 171.96 cm-1 View
  • 4 223.69 cm-1 View
  • 5 380.80 cm-1 View
  • 6 472.63 cm-1 View
  • 7 556.86 cm-1 View
  • 8 579.27 cm-1 View
  • 9 652.17 cm-1 View
  • 10 902.75 cm-1 View
  • 11 919.98 cm-1 View
  • 12 934.13 cm-1 View
  • 13 935.51 cm-1 View
  • 14 959.06 cm-1 View
  • 15 964.71 cm-1 View
  • 16 1027.66 cm-1 View
  • 17 1036.38 cm-1 View
  • 18 1170.72 cm-1 View
  • 19 1173.97 cm-1 View
  • 20 1228.07 cm-1 View
  • 21 1237.32 cm-1 View
  • 22 1281.05 cm-1 View
  • 23 1284.72 cm-1 View
  • 24 1347.16 cm-1 View
  • 25 1387.24 cm-1 View
  • 26 1822.26 cm-1 View
  • 27 1855.42 cm-1 View
  • 28 1873.63 cm-1 View
  • 29 3028.77 cm-1 View
  • 30 3030.13 cm-1 View
  • 31 3037.11 cm-1 View
  • 32 3039.11 cm-1 View
  • 33 3136.39 cm-1 View
  • 34 3136.47 cm-1 View
  • 35 3147.61 cm-1 View
  • 36 3147.80 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy1.16kJ mol-1
Polar Solvation Energy-4.56kJ mol-1
Nonpolar Solvation Energy5.73kJ mol-1
Surface Area108.42Å2
Charge of Molecule0
Dipole0.00Debye