Pentanoyl fluoride

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational364.12kJ mol-1
Total (Trans. + Rot. + Vib.)374.04kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational90.65J mol-1 K-1
Total (Trans. + Rot. + Vib.)123.90J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.68J mol-1 K-1
Rotational117.83J mol-1 K-1
Vibrational94.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)379.09J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-477.18kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 44.91 cm-1 View
  • 2 76.31 cm-1 View
  • 3 101.00 cm-1 View
  • 4 150.98 cm-1 View
  • 5 197.65 cm-1 View
  • 6 313.25 cm-1 View
  • 7 388.51 cm-1 View
  • 8 443.92 cm-1 View
  • 9 572.55 cm-1 View
  • 10 670.34 cm-1 View
  • 11 773.03 cm-1 View
  • 12 845.40 cm-1 View
  • 13 946.81 cm-1 View
  • 14 958.63 cm-1 View
  • 15 982.06 cm-1 View
  • 16 1033.46 cm-1 View
  • 17 1107.55 cm-1 View
  • 18 1119.83 cm-1 View
  • 19 1135.36 cm-1 View
  • 20 1149.04 cm-1 View
  • 21 1152.10 cm-1 View
  • 22 1154.57 cm-1 View
  • 23 1225.88 cm-1 View
  • 24 1313.41 cm-1 View
  • 25 1375.20 cm-1 View
  • 26 1379.49 cm-1 View
  • 27 1401.83 cm-1 View
  • 28 1408.04 cm-1 View
  • 29 1409.67 cm-1 View
  • 30 1414.73 cm-1 View
  • 31 1431.78 cm-1 View
  • 32 1506.05 cm-1 View
  • 33 2016.14 cm-1 View
  • 34 2945.86 cm-1 View
  • 35 2957.58 cm-1 View
  • 36 2965.55 cm-1 View
  • 37 3030.11 cm-1 View
  • 38 3032.96 cm-1 View
  • 39 3034.15 cm-1 View
  • 40 3079.73 cm-1 View
  • 41 3085.46 cm-1 View
  • 42 3182.00 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy8.92kJ mol-1
Polar Solvation Energy-16.57kJ mol-1
Nonpolar Solvation Energy25.46kJ mol-1
Surface Area109.97Å2
Charge of Molecule0
Dipole3.60Debye