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.)327.46kJ 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
Vibrational67.43J mol-1 K-1
Total (Trans. + Rot. + Vib.)341.12J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation188.38kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 67.54 cm-1 View
  • 2 111.80 cm-1 View
  • 3 172.01 cm-1 View
  • 4 224.10 cm-1 View
  • 5 380.75 cm-1 View
  • 6 472.64 cm-1 View
  • 7 556.67 cm-1 View
  • 8 579.58 cm-1 View
  • 9 652.42 cm-1 View
  • 10 902.70 cm-1 View
  • 11 919.99 cm-1 View
  • 12 933.99 cm-1 View
  • 13 935.47 cm-1 View
  • 14 958.93 cm-1 View
  • 15 964.73 cm-1 View
  • 16 1027.74 cm-1 View
  • 17 1036.44 cm-1 View
  • 18 1170.58 cm-1 View
  • 19 1173.94 cm-1 View
  • 20 1228.03 cm-1 View
  • 21 1237.24 cm-1 View
  • 22 1281.10 cm-1 View
  • 23 1284.74 cm-1 View
  • 24 1347.21 cm-1 View
  • 25 1387.26 cm-1 View
  • 26 1822.16 cm-1 View
  • 27 1855.29 cm-1 View
  • 28 1873.45 cm-1 View
  • 29 3028.64 cm-1 View
  • 30 3029.98 cm-1 View
  • 31 3037.05 cm-1 View
  • 32 3039.04 cm-1 View
  • 33 3136.30 cm-1 View
  • 34 3136.39 cm-1 View
  • 35 3147.66 cm-1 View
  • 36 3147.85 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy8.36kJ mol-1
Polar Solvation Energy-4.23kJ mol-1
Nonpolar Solvation Energy12.58kJ mol-1
Surface Area102.82Å2
Charge of Molecule0
Dipole0.00Debye