Propan-2-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational226.76kJ mol-1
Total (Trans. + Rot. + Vib.)236.67kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational44.54J mol-1 K-1
Total (Trans. + Rot. + Vib.)77.79J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.39J mol-1 K-1
Rotational100.97J mol-1 K-1
Vibrational40.01J mol-1 K-1
Total (Trans. + Rot. + Vib.)300.37J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-222.82kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 92.55 cm-1 View
  • 2 120.09 cm-1 View
  • 3 390.17 cm-1 View
  • 4 522.40 cm-1 View
  • 5 537.75 cm-1 View
  • 6 892.22 cm-1 View
  • 7 928.54 cm-1 View
  • 8 943.28 cm-1 View
  • 9 1033.75 cm-1 View
  • 10 1060.42 cm-1 View
  • 11 1274.64 cm-1 View
  • 12 1373.94 cm-1 View
  • 13 1384.93 cm-1 View
  • 14 1392.02 cm-1 View
  • 15 1396.35 cm-1 View
  • 16 1399.37 cm-1 View
  • 17 1411.48 cm-1 View
  • 18 1978.68 cm-1 View
  • 19 3082.43 cm-1 View
  • 20 3083.22 cm-1 View
  • 21 3089.34 cm-1 View
  • 22 3090.83 cm-1 View
  • 23 3180.23 cm-1 View
  • 24 3180.93 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-2.82kJ mol-1
Polar Solvation Energy-16.58kJ mol-1
Nonpolar Solvation Energy13.79kJ mol-1
Surface Area72.75Å2
Charge of Molecule0
Dipole3.50Debye