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
Vibrational317.56kJ mol-1
Total (Trans. + Rot. + Vib.)327.48kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational76.78J mol-1 K-1
Total (Trans. + Rot. + Vib.)110.04J mol-1 K-1
Entropy
PropertyValueUnit
Translational163.41J mol-1 K-1
Rotational110.30J mol-1 K-1
Vibrational66.57J mol-1 K-1
Total (Trans. + Rot. + Vib.)340.28J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation188.53kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 72.85 cm-1 View
  • 2 111.98 cm-1 View
  • 3 172.01 cm-1 View
  • 4 229.01 cm-1 View
  • 5 383.46 cm-1 View
  • 6 471.33 cm-1 View
  • 7 559.07 cm-1 View
  • 8 580.28 cm-1 View
  • 9 652.91 cm-1 View
  • 10 903.35 cm-1 View
  • 11 919.59 cm-1 View
  • 12 933.82 cm-1 View
  • 13 936.35 cm-1 View
  • 14 959.31 cm-1 View
  • 15 964.82 cm-1 View
  • 16 1028.47 cm-1 View
  • 17 1037.09 cm-1 View
  • 18 1169.65 cm-1 View
  • 19 1173.92 cm-1 View
  • 20 1226.45 cm-1 View
  • 21 1236.83 cm-1 View
  • 22 1280.59 cm-1 View
  • 23 1286.73 cm-1 View
  • 24 1347.07 cm-1 View
  • 25 1386.96 cm-1 View
  • 26 1821.33 cm-1 View
  • 27 1852.44 cm-1 View
  • 28 1873.77 cm-1 View
  • 29 3028.59 cm-1 View
  • 30 3030.15 cm-1 View
  • 31 3037.42 cm-1 View
  • 32 3039.44 cm-1 View
  • 33 3134.14 cm-1 View
  • 34 3135.36 cm-1 View
  • 35 3148.02 cm-1 View
  • 36 3149.15 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy11.71kJ mol-1
Polar Solvation Energy-4.46kJ mol-1
Nonpolar Solvation Energy16.18kJ mol-1
Surface Area111.70Å2
Charge of Molecule0
Dipole0.00Debye