Propan-2-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational221.49kJ mol-1
Total (Trans. + Rot. + Vib.)231.40kJ 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.)61.56J 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.)272.39J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-218.77kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 25.75 cm-1 View
  • 2 33.98 cm-1 View
  • 3 384.79 cm-1 View
  • 4 530.20 cm-1 View
  • 5 535.85 cm-1 View
  • 6 896.46 cm-1 View
  • 7 904.43 cm-1 View
  • 8 976.70 cm-1 View
  • 9 1022.48 cm-1 View
  • 10 1064.18 cm-1 View
  • 11 1255.64 cm-1 View
  • 12 1367.37 cm-1 View
  • 13 1381.80 cm-1 View
  • 14 1391.83 cm-1 View
  • 15 1393.92 cm-1 View
  • 16 1396.93 cm-1 View
  • 17 1417.89 cm-1 View
  • 18 1972.34 cm-1 View
  • 19 3082.15 cm-1 View
  • 20 3083.03 cm-1 View
  • 21 3083.97 cm-1 View
  • 22 3086.56 cm-1 View
  • 23 3181.05 cm-1 View
  • 24 3182.67 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-4.46kJ mol-1
Polar Solvation Energy-16.50kJ mol-1
Nonpolar Solvation Energy12.04kJ mol-1
Surface Area82.85Å2
Charge of Molecule0
Dipole3.32Debye