(3e,5e)-hepta-1,3,5-triene

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational392.94kJ mol-1
Total (Trans. + Rot. + Vib.)402.86kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational91.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)124.67J mol-1 K-1
Entropy
PropertyValueUnit
Translational165.42J mol-1 K-1
Rotational115.35J mol-1 K-1
Vibrational83.53J mol-1 K-1
Total (Trans. + Rot. + Vib.)364.29J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation147.43kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 50.59 cm-1 View
  • 2 64.32 cm-1 View
  • 3 105.26 cm-1 View
  • 4 127.37 cm-1 View
  • 5 162.90 cm-1 View
  • 6 298.32 cm-1 View
  • 7 309.99 cm-1 View
  • 8 389.83 cm-1 View
  • 9 498.69 cm-1 View
  • 10 590.93 cm-1 View
  • 11 616.56 cm-1 View
  • 12 827.94 cm-1 View
  • 13 899.28 cm-1 View
  • 14 918.79 cm-1 View
  • 15 934.00 cm-1 View
  • 16 946.06 cm-1 View
  • 17 968.62 cm-1 View
  • 18 983.91 cm-1 View
  • 19 1029.55 cm-1 View
  • 20 1039.20 cm-1 View
  • 21 1149.04 cm-1 View
  • 22 1156.83 cm-1 View
  • 23 1181.95 cm-1 View
  • 24 1220.17 cm-1 View
  • 25 1230.14 cm-1 View
  • 26 1253.38 cm-1 View
  • 27 1282.22 cm-1 View
  • 28 1326.41 cm-1 View
  • 29 1374.58 cm-1 View
  • 30 1389.24 cm-1 View
  • 31 1397.96 cm-1 View
  • 32 1428.06 cm-1 View
  • 33 1831.26 cm-1 View
  • 34 1866.76 cm-1 View
  • 35 1873.96 cm-1 View
  • 36 3026.50 cm-1 View
  • 37 3030.73 cm-1 View
  • 38 3037.31 cm-1 View
  • 39 3039.34 cm-1 View
  • 40 3041.70 cm-1 View
  • 41 3068.80 cm-1 View
  • 42 3080.57 cm-1 View
  • 43 3137.80 cm-1 View
  • 44 3147.16 cm-1 View
  • 45 3174.60 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy7.21kJ mol-1
Polar Solvation Energy-5.21kJ mol-1
Nonpolar Solvation Energy12.41kJ mol-1
Surface Area125.99Å2
Charge of Molecule0
Dipole0.44Debye