Pentane-2,4-dione

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational334.45kJ mol-1
Total (Trans. + Rot. + Vib.)344.36kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational91.01J mol-1 K-1
Total (Trans. + Rot. + Vib.)124.27J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.19J mol-1 K-1
Rotational115.86J mol-1 K-1
Vibrational103.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)385.45J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-381.48kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 20.08 cm-1 View
  • 2 54.83 cm-1 View
  • 3 131.06 cm-1 View
  • 4 137.90 cm-1 View
  • 5 183.25 cm-1 View
  • 6 325.57 cm-1 View
  • 7 420.92 cm-1 View
  • 8 508.84 cm-1 View
  • 9 529.92 cm-1 View
  • 10 541.15 cm-1 View
  • 11 657.04 cm-1 View
  • 12 871.12 cm-1 View
  • 13 894.68 cm-1 View
  • 14 961.25 cm-1 View
  • 15 977.26 cm-1 View
  • 16 983.03 cm-1 View
  • 17 1018.61 cm-1 View
  • 18 1039.39 cm-1 View
  • 19 1078.43 cm-1 View
  • 20 1196.04 cm-1 View
  • 21 1265.26 cm-1 View
  • 22 1340.74 cm-1 View
  • 23 1373.71 cm-1 View
  • 24 1382.34 cm-1 View
  • 25 1386.71 cm-1 View
  • 26 1391.35 cm-1 View
  • 27 1395.36 cm-1 View
  • 28 1402.74 cm-1 View
  • 29 1404.30 cm-1 View
  • 30 1972.24 cm-1 View
  • 31 1980.70 cm-1 View
  • 32 2959.55 cm-1 View
  • 33 3034.15 cm-1 View
  • 34 3075.90 cm-1 View
  • 35 3077.75 cm-1 View
  • 36 3087.17 cm-1 View
  • 37 3088.76 cm-1 View
  • 38 3173.82 cm-1 View
  • 39 3176.22 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-6.63kJ mol-1
Polar Solvation Energy-25.57kJ mol-1
Nonpolar Solvation Energy18.89kJ mol-1
Surface Area106.91Å2
Charge of Molecule0
Dipole3.74Debye