(3z)-penta-1,3-diene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational303.27kJ mol-1
Total (Trans. + Rot. + Vib.)313.18kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational61.75J mol-1 K-1
Total (Trans. + Rot. + Vib.)95.01J mol-1 K-1
Entropy
PropertyValueUnit
Translational161.38J mol-1 K-1
Rotational106.93J mol-1 K-1
Vibrational45.48J mol-1 K-1
Total (Trans. + Rot. + Vib.)313.79J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation96.27kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 100.12 cm-1 View
  • 2 174.73 cm-1 View
  • 3 329.01 cm-1 View
  • 4 374.91 cm-1 View
  • 5 418.13 cm-1 View
  • 6 634.07 cm-1 View
  • 7 716.61 cm-1 View
  • 8 784.61 cm-1 View
  • 9 935.80 cm-1 View
  • 10 953.44 cm-1 View
  • 11 963.85 cm-1 View
  • 12 985.01 cm-1 View
  • 13 1027.03 cm-1 View
  • 14 1040.38 cm-1 View
  • 15 1092.71 cm-1 View
  • 16 1115.58 cm-1 View
  • 17 1195.55 cm-1 View
  • 18 1216.52 cm-1 View
  • 19 1306.35 cm-1 View
  • 20 1359.02 cm-1 View
  • 21 1390.29 cm-1 View
  • 22 1431.68 cm-1 View
  • 23 1467.79 cm-1 View
  • 24 1847.66 cm-1 View
  • 25 1895.76 cm-1 View
  • 26 3008.35 cm-1 View
  • 27 3027.19 cm-1 View
  • 28 3035.32 cm-1 View
  • 29 3049.05 cm-1 View
  • 30 3067.29 cm-1 View
  • 31 3117.57 cm-1 View
  • 32 3152.50 cm-1 View
  • 33 3154.00 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy10.76kJ mol-1
Polar Solvation Energy-3.26kJ mol-1
Nonpolar Solvation Energy14.04kJ mol-1
Surface Area92.93Å2
Charge of Molecule0
Dipole0.37Debye