Phenoxyphosphane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational295.23kJ mol-1
Total (Trans. + Rot. + Vib.)305.15kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational93.20J mol-1 K-1
Total (Trans. + Rot. + Vib.)126.46J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.06J mol-1 K-1
Rotational120.21J mol-1 K-1
Vibrational87.95J mol-1 K-1
Total (Trans. + Rot. + Vib.)377.22J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-97.51kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 30.43 cm-1 View
  • 2 73.12 cm-1 View
  • 3 108.27 cm-1 View
  • 4 240.66 cm-1 View
  • 5 360.52 cm-1 View
  • 6 411.13 cm-1 View
  • 7 466.15 cm-1 View
  • 8 537.15 cm-1 View
  • 9 627.06 cm-1 View
  • 10 638.52 cm-1 View
  • 11 752.23 cm-1 View
  • 12 797.46 cm-1 View
  • 13 844.89 cm-1 View
  • 14 864.50 cm-1 View
  • 15 890.25 cm-1 View
  • 16 931.81 cm-1 View
  • 17 952.39 cm-1 View
  • 18 959.81 cm-1 View
  • 19 974.70 cm-1 View
  • 20 1010.90 cm-1 View
  • 21 1048.22 cm-1 View
  • 22 1101.41 cm-1 View
  • 23 1130.56 cm-1 View
  • 24 1153.13 cm-1 View
  • 25 1154.77 cm-1 View
  • 26 1221.76 cm-1 View
  • 27 1296.62 cm-1 View
  • 28 1393.88 cm-1 View
  • 29 1541.11 cm-1 View
  • 30 1560.10 cm-1 View
  • 31 1598.27 cm-1 View
  • 32 1605.92 cm-1 View
  • 33 1761.52 cm-1 View
  • 34 1786.81 cm-1 View
  • 35 3055.57 cm-1 View
  • 36 3058.44 cm-1 View
  • 37 3068.70 cm-1 View
  • 38 3072.77 cm-1 View
  • 39 3081.93 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-3.08kJ mol-1
Polar Solvation Energy-15.12kJ mol-1
Nonpolar Solvation Energy12.04kJ mol-1
Surface Area122.82Å2
Charge of Molecule0
Dipole1.94Debye