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.)313.93kJ 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
Vibrational59.30J mol-1 K-1
Total (Trans. + Rot. + Vib.)328.93J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-241.89kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 67.75 cm-1 View
  • 2 119.94 cm-1 View
  • 3 182.34 cm-1 View
  • 4 276.63 cm-1 View
  • 5 392.50 cm-1 View
  • 6 526.13 cm-1 View
  • 7 620.08 cm-1 View
  • 8 835.68 cm-1 View
  • 9 870.95 cm-1 View
  • 10 968.51 cm-1 View
  • 11 986.05 cm-1 View
  • 12 1039.32 cm-1 View
  • 13 1064.81 cm-1 View
  • 14 1119.80 cm-1 View
  • 15 1124.68 cm-1 View
  • 16 1245.83 cm-1 View
  • 17 1328.25 cm-1 View
  • 18 1379.27 cm-1 View
  • 19 1392.02 cm-1 View
  • 20 1397.64 cm-1 View
  • 21 1405.31 cm-1 View
  • 22 1406.45 cm-1 View
  • 23 1409.39 cm-1 View
  • 24 1418.01 cm-1 View
  • 25 1979.50 cm-1 View
  • 26 2963.26 cm-1 View
  • 27 3039.16 cm-1 View
  • 28 3076.67 cm-1 View
  • 29 3079.66 cm-1 View
  • 30 3085.70 cm-1 View
  • 31 3088.84 cm-1 View
  • 32 3177.19 cm-1 View
  • 33 3181.06 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-0.01kJ mol-1
Polar Solvation Energy-15.53kJ mol-1
Nonpolar Solvation Energy15.51kJ mol-1
Surface Area86.69Å2
Charge of Molecule0
Dipole3.42Debye