Pentan-3-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational379.91kJ mol-1
Total (Trans. + Rot. + Vib.)389.83kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational85.50J mol-1 K-1
Total (Trans. + Rot. + Vib.)118.76J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.31J mol-1 K-1
Rotational112.20J mol-1 K-1
Vibrational92.09J mol-1 K-1
Total (Trans. + Rot. + Vib.)368.60J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-257.17kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 31.77 cm-1 View
  • 2 47.17 cm-1 View
  • 3 175.66 cm-1 View
  • 4 182.09 cm-1 View
  • 5 210.39 cm-1 View
  • 6 324.35 cm-1 View
  • 7 414.27 cm-1 View
  • 8 502.49 cm-1 View
  • 9 613.34 cm-1 View
  • 10 768.90 cm-1 View
  • 11 857.42 cm-1 View
  • 12 863.72 cm-1 View
  • 13 979.00 cm-1 View
  • 14 1015.56 cm-1 View
  • 15 1067.67 cm-1 View
  • 16 1072.90 cm-1 View
  • 17 1091.19 cm-1 View
  • 18 1121.10 cm-1 View
  • 19 1124.18 cm-1 View
  • 20 1148.64 cm-1 View
  • 21 1152.59 cm-1 View
  • 22 1312.28 cm-1 View
  • 23 1358.45 cm-1 View
  • 24 1369.75 cm-1 View
  • 25 1375.58 cm-1 View
  • 26 1400.93 cm-1 View
  • 27 1400.99 cm-1 View
  • 28 1411.05 cm-1 View
  • 29 1411.09 cm-1 View
  • 30 1424.98 cm-1 View
  • 31 1429.05 cm-1 View
  • 32 1976.71 cm-1 View
  • 33 2950.34 cm-1 View
  • 34 2950.81 cm-1 View
  • 35 3029.34 cm-1 View
  • 36 3029.84 cm-1 View
  • 37 3083.82 cm-1 View
  • 38 3083.83 cm-1 View
  • 39 3085.69 cm-1 View
  • 40 3085.94 cm-1 View
  • 41 3183.19 cm-1 View
  • 42 3183.38 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy4.75kJ mol-1
Polar Solvation Energy-15.04kJ mol-1
Nonpolar Solvation Energy19.77kJ mol-1
Surface Area100.54Å2
Charge of Molecule0
Dipole3.40Debye