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.)61.56J 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.)272.38J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-218.78kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 22.14 cm-1 View
  • 2 26.62 cm-1 View
  • 3 385.06 cm-1 View
  • 4 530.11 cm-1 View
  • 5 535.65 cm-1 View
  • 6 896.45 cm-1 View
  • 7 904.02 cm-1 View
  • 8 976.56 cm-1 View
  • 9 1022.77 cm-1 View
  • 10 1064.04 cm-1 View
  • 11 1255.70 cm-1 View
  • 12 1367.45 cm-1 View
  • 13 1381.87 cm-1 View
  • 14 1391.77 cm-1 View
  • 15 1393.92 cm-1 View
  • 16 1397.03 cm-1 View
  • 17 1417.94 cm-1 View
  • 18 1972.50 cm-1 View
  • 19 3082.25 cm-1 View
  • 20 3083.12 cm-1 View
  • 21 3084.19 cm-1 View
  • 22 3086.77 cm-1 View
  • 23 3181.33 cm-1 View
  • 24 3182.94 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-8.39kJ mol-1
Polar Solvation Energy-16.63kJ mol-1
Nonpolar Solvation Energy8.19kJ mol-1
Surface Area83.49Å2
Charge of Molecule0
Dipole3.33Debye