Propan-2-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational221.50kJ mol-1
Total (Trans. + Rot. + Vib.)231.41kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational28.30J mol-1 K-1
Total (Trans. + Rot. + Vib.)61.55J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.39J mol-1 K-1
Rotational101.00J mol-1 K-1
Vibrational11.99J mol-1 K-1
Total (Trans. + Rot. + Vib.)272.38J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-218.77kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 16.61 cm-1 View
  • 2 29.75 cm-1 View
  • 3 385.13 cm-1 View
  • 4 530.13 cm-1 View
  • 5 535.94 cm-1 View
  • 6 896.52 cm-1 View
  • 7 903.80 cm-1 View
  • 8 976.76 cm-1 View
  • 9 1022.93 cm-1 View
  • 10 1064.05 cm-1 View
  • 11 1255.76 cm-1 View
  • 12 1367.50 cm-1 View
  • 13 1381.88 cm-1 View
  • 14 1391.79 cm-1 View
  • 15 1393.94 cm-1 View
  • 16 1397.03 cm-1 View
  • 17 1418.01 cm-1 View
  • 18 1972.49 cm-1 View
  • 19 3082.25 cm-1 View
  • 20 3083.13 cm-1 View
  • 21 3084.16 cm-1 View
  • 22 3086.73 cm-1 View
  • 23 3181.32 cm-1 View
  • 24 3182.92 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-3.80kJ mol-1
Polar Solvation Energy-16.54kJ mol-1
Nonpolar Solvation Energy12.75kJ mol-1
Surface Area78.27Å2
Charge of Molecule0
Dipole3.32Debye