1-phenylethanone

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational371.03kJ mol-1
Total (Trans. + Rot. + Vib.)380.95kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational91.05J mol-1 K-1
Total (Trans. + Rot. + Vib.)124.30J mol-1 K-1
Entropy
PropertyValueUnit
Translational168.46J mol-1 K-1
Rotational120.23J mol-1 K-1
Vibrational59.42J mol-1 K-1
Total (Trans. + Rot. + Vib.)348.11J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-73.85kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 21.96 cm-1 View
  • 2 144.04 cm-1 View
  • 3 164.71 cm-1 View
  • 4 237.42 cm-1 View
  • 5 353.45 cm-1 View
  • 6 382.38 cm-1 View
  • 7 405.93 cm-1 View
  • 8 467.19 cm-1 View
  • 9 583.42 cm-1 View
  • 10 604.47 cm-1 View
  • 11 629.82 cm-1 View
  • 12 665.63 cm-1 View
  • 13 779.93 cm-1 View
  • 14 808.30 cm-1 View
  • 15 849.31 cm-1 View
  • 16 938.48 cm-1 View
  • 17 981.38 cm-1 View
  • 18 993.83 cm-1 View
  • 19 1003.96 cm-1 View
  • 20 1019.11 cm-1 View
  • 21 1026.91 cm-1 View
  • 22 1096.27 cm-1 View
  • 23 1112.71 cm-1 View
  • 24 1155.70 cm-1 View
  • 25 1173.76 cm-1 View
  • 26 1205.94 cm-1 View
  • 27 1232.43 cm-1 View
  • 28 1315.78 cm-1 View
  • 29 1354.79 cm-1 View
  • 30 1388.11 cm-1 View
  • 31 1399.07 cm-1 View
  • 32 1409.44 cm-1 View
  • 33 1539.08 cm-1 View
  • 34 1592.21 cm-1 View
  • 35 1777.73 cm-1 View
  • 36 1795.66 cm-1 View
  • 37 1955.92 cm-1 View
  • 38 3040.92 cm-1 View
  • 39 3044.02 cm-1 View
  • 40 3057.22 cm-1 View
  • 41 3065.85 cm-1 View
  • 42 3077.67 cm-1 View
  • 43 3080.94 cm-1 View
  • 44 3083.28 cm-1 View
  • 45 3177.05 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy3.21kJ mol-1
Polar Solvation Energy-16.43kJ mol-1
Nonpolar Solvation Energy19.65kJ mol-1
Surface Area113.55Å2
Charge of Molecule0
Dipole3.72Debye