Propan-2-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational226.75kJ 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.)77.80J mol-1 K-1
Entropy
PropertyValueUnit
Translational159.39J mol-1 K-1
Rotational100.97J mol-1 K-1
Vibrational40.15J mol-1 K-1
Total (Trans. + Rot. + Vib.)300.51J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-222.83kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 91.94 cm-1 View
  • 2 118.77 cm-1 View
  • 3 390.02 cm-1 View
  • 4 522.55 cm-1 View
  • 5 537.87 cm-1 View
  • 6 891.99 cm-1 View
  • 7 928.49 cm-1 View
  • 8 943.37 cm-1 View
  • 9 1033.70 cm-1 View
  • 10 1060.36 cm-1 View
  • 11 1274.62 cm-1 View
  • 12 1373.91 cm-1 View
  • 13 1384.91 cm-1 View
  • 14 1392.03 cm-1 View
  • 15 1396.30 cm-1 View
  • 16 1399.28 cm-1 View
  • 17 1411.46 cm-1 View
  • 18 1978.60 cm-1 View
  • 19 3082.59 cm-1 View
  • 20 3083.15 cm-1 View
  • 21 3089.40 cm-1 View
  • 22 3090.81 cm-1 View
  • 23 3180.36 cm-1 View
  • 24 3180.81 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-4.41kJ mol-1
Polar Solvation Energy-16.57kJ mol-1
Nonpolar Solvation Energy12.21kJ mol-1
Surface Area74.74Å2
Charge of Molecule0
Dipole3.50Debye