(3z)-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
Vibrational316.21kJ mol-1
Total (Trans. + Rot. + Vib.)326.13kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational77.12J mol-1 K-1
Total (Trans. + Rot. + Vib.)110.37J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.41J mol-1 K-1
Rotational111.37J mol-1 K-1
Vibrational75.32J mol-1 K-1
Total (Trans. + Rot. + Vib.)350.10J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation206.26kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 40.13 cm-1 View
  • 2 61.41 cm-1 View
  • 3 172.52 cm-1 View
  • 4 269.06 cm-1 View
  • 5 339.53 cm-1 View
  • 6 510.31 cm-1 View
  • 7 548.00 cm-1 View
  • 8 635.59 cm-1 View
  • 9 763.95 cm-1 View
  • 10 795.91 cm-1 View
  • 11 916.87 cm-1 View
  • 12 925.90 cm-1 View
  • 13 944.45 cm-1 View
  • 14 976.60 cm-1 View
  • 15 979.88 cm-1 View
  • 16 1027.12 cm-1 View
  • 17 1033.49 cm-1 View
  • 18 1071.79 cm-1 View
  • 19 1075.39 cm-1 View
  • 20 1144.96 cm-1 View
  • 21 1179.82 cm-1 View
  • 22 1227.66 cm-1 View
  • 23 1300.71 cm-1 View
  • 24 1329.99 cm-1 View
  • 25 1417.30 cm-1 View
  • 26 1833.37 cm-1 View
  • 27 1863.10 cm-1 View
  • 28 1918.65 cm-1 View
  • 29 3016.61 cm-1 View
  • 30 3031.26 cm-1 View
  • 31 3034.27 cm-1 View
  • 32 3039.56 cm-1 View
  • 33 3139.59 cm-1 View
  • 34 3140.87 cm-1 View
  • 35 3146.24 cm-1 View
  • 36 3146.55 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy15.68kJ mol-1
Polar Solvation Energy-3.32kJ mol-1
Nonpolar Solvation Energy18.98kJ mol-1
Surface Area98.28Å2
Charge of Molecule0
Dipole0.10Debye