1-phenylpropan-1-one

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational450.78kJ mol-1
Total (Trans. + Rot. + Vib.)460.70kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational119.35J mol-1 K-1
Total (Trans. + Rot. + Vib.)152.61J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.84J mol-1 K-1
Rotational123.72J mol-1 K-1
Vibrational104.81J mol-1 K-1
Total (Trans. + Rot. + Vib.)398.37J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-94.81kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 46.16 cm-1 View
  • 2 73.01 cm-1 View
  • 3 133.35 cm-1 View
  • 4 177.08 cm-1 View
  • 5 229.60 cm-1 View
  • 6 292.59 cm-1 View
  • 7 352.39 cm-1 View
  • 8 368.76 cm-1 View
  • 9 385.34 cm-1 View
  • 10 496.83 cm-1 View
  • 11 579.72 cm-1 View
  • 12 630.35 cm-1 View
  • 13 651.40 cm-1 View
  • 14 673.87 cm-1 View
  • 15 773.68 cm-1 View
  • 16 817.16 cm-1 View
  • 17 852.64 cm-1 View
  • 18 855.55 cm-1 View
  • 19 946.63 cm-1 View
  • 20 982.80 cm-1 View
  • 21 984.95 cm-1 View
  • 22 1017.56 cm-1 View
  • 23 1033.21 cm-1 View
  • 24 1058.46 cm-1 View
  • 25 1079.33 cm-1 View
  • 26 1107.51 cm-1 View
  • 27 1122.82 cm-1 View
  • 28 1139.15 cm-1 View
  • 29 1153.25 cm-1 View
  • 30 1159.79 cm-1 View
  • 31 1207.47 cm-1 View
  • 32 1278.40 cm-1 View
  • 33 1316.99 cm-1 View
  • 34 1343.24 cm-1 View
  • 35 1367.11 cm-1 View
  • 36 1388.34 cm-1 View
  • 37 1400.98 cm-1 View
  • 38 1410.46 cm-1 View
  • 39 1433.10 cm-1 View
  • 40 1539.86 cm-1 View
  • 41 1596.23 cm-1 View
  • 42 1780.33 cm-1 View
  • 43 1796.86 cm-1 View
  • 44 1965.62 cm-1 View
  • 45 2921.85 cm-1 View
  • 46 3009.88 cm-1 View
  • 47 3017.12 cm-1 View
  • 48 3048.85 cm-1 View
  • 49 3057.51 cm-1 View
  • 50 3066.68 cm-1 View
  • 51 3077.88 cm-1 View
  • 52 3083.87 cm-1 View
  • 53 3085.48 cm-1 View
  • 54 3182.92 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-1.87kJ mol-1
Polar Solvation Energy-16.73kJ mol-1
Nonpolar Solvation Energy14.84kJ mol-1
Surface Area133.21Å2
Charge of Molecule0
Dipole3.62Debye