1-furan-2-ylethanone

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational293.95kJ mol-1
Total (Trans. + Rot. + Vib.)303.86kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational82.83J mol-1 K-1
Total (Trans. + Rot. + Vib.)116.08J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.37J mol-1 K-1
Rotational116.85J mol-1 K-1
Vibrational73.95J mol-1 K-1
Total (Trans. + Rot. + Vib.)358.17J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-187.70kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 39.99 cm-1 View
  • 2 130.01 cm-1 View
  • 3 178.89 cm-1 View
  • 4 194.15 cm-1 View
  • 5 387.59 cm-1 View
  • 6 484.22 cm-1 View
  • 7 507.17 cm-1 View
  • 8 518.98 cm-1 View
  • 9 668.71 cm-1 View
  • 10 682.72 cm-1 View
  • 11 782.72 cm-1 View
  • 12 878.24 cm-1 View
  • 13 890.22 cm-1 View
  • 14 944.99 cm-1 View
  • 15 953.51 cm-1 View
  • 16 996.53 cm-1 View
  • 17 1003.65 cm-1 View
  • 18 1033.37 cm-1 View
  • 19 1069.50 cm-1 View
  • 20 1114.12 cm-1 View
  • 21 1241.22 cm-1 View
  • 22 1310.87 cm-1 View
  • 23 1366.08 cm-1 View
  • 24 1386.94 cm-1 View
  • 25 1391.59 cm-1 View
  • 26 1406.48 cm-1 View
  • 27 1496.15 cm-1 View
  • 28 1638.53 cm-1 View
  • 29 1750.05 cm-1 View
  • 30 1953.61 cm-1 View
  • 31 3082.56 cm-1 View
  • 32 3089.11 cm-1 View
  • 33 3123.30 cm-1 View
  • 34 3150.85 cm-1 View
  • 35 3167.95 cm-1 View
  • 36 3179.05 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-3.19kJ mol-1
Polar Solvation Energy-16.74kJ mol-1
Nonpolar Solvation Energy13.54kJ mol-1
Surface Area112.79Å2
Charge of Molecule0
Dipole3.66Debye