Butan-2-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational304.02kJ mol-1
Total (Trans. + Rot. + Vib.)313.94kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational64.12J mol-1 K-1
Total (Trans. + Rot. + Vib.)97.38J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.09J mol-1 K-1
Rotational107.53J mol-1 K-1
Vibrational59.47J mol-1 K-1
Total (Trans. + Rot. + Vib.)329.09J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-241.89kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 65.87 cm-1 View
  • 2 120.55 cm-1 View
  • 3 182.85 cm-1 View
  • 4 276.62 cm-1 View
  • 5 392.96 cm-1 View
  • 6 526.06 cm-1 View
  • 7 620.11 cm-1 View
  • 8 835.33 cm-1 View
  • 9 870.79 cm-1 View
  • 10 968.48 cm-1 View
  • 11 985.52 cm-1 View
  • 12 1039.70 cm-1 View
  • 13 1065.08 cm-1 View
  • 14 1119.79 cm-1 View
  • 15 1124.69 cm-1 View
  • 16 1245.98 cm-1 View
  • 17 1328.28 cm-1 View
  • 18 1379.32 cm-1 View
  • 19 1391.93 cm-1 View
  • 20 1398.05 cm-1 View
  • 21 1405.39 cm-1 View
  • 22 1406.50 cm-1 View
  • 23 1409.31 cm-1 View
  • 24 1418.12 cm-1 View
  • 25 1979.49 cm-1 View
  • 26 2963.95 cm-1 View
  • 27 3039.91 cm-1 View
  • 28 3076.51 cm-1 View
  • 29 3079.53 cm-1 View
  • 30 3085.27 cm-1 View
  • 31 3088.91 cm-1 View
  • 32 3177.11 cm-1 View
  • 33 3180.91 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-1.43kJ mol-1
Polar Solvation Energy-15.62kJ mol-1
Nonpolar Solvation Energy14.17kJ mol-1
Surface Area93.57Å2
Charge of Molecule0
Dipole3.42Debye