(2-phosphanylphenyl)phosphane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational295.96kJ mol-1
Total (Trans. + Rot. + Vib.)305.88kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational113.98J mol-1 K-1
Total (Trans. + Rot. + Vib.)147.24J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.55J mol-1 K-1
Rotational123.62J mol-1 K-1
Vibrational101.51J mol-1 K-1
Total (Trans. + Rot. + Vib.)395.69J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation162.25kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 85.26 cm-1 View
  • 2 103.59 cm-1 View
  • 3 108.36 cm-1 View
  • 4 133.49 cm-1 View
  • 5 194.49 cm-1 View
  • 6 240.53 cm-1 View
  • 7 326.72 cm-1 View
  • 8 390.76 cm-1 View
  • 9 410.29 cm-1 View
  • 10 449.38 cm-1 View
  • 11 657.78 cm-1 View
  • 12 672.45 cm-1 View
  • 13 716.64 cm-1 View
  • 14 764.11 cm-1 View
  • 15 794.34 cm-1 View
  • 16 847.17 cm-1 View
  • 17 851.52 cm-1 View
  • 18 869.13 cm-1 View
  • 19 905.00 cm-1 View
  • 20 933.00 cm-1 View
  • 21 942.70 cm-1 View
  • 22 961.48 cm-1 View
  • 23 1012.40 cm-1 View
  • 24 1022.88 cm-1 View
  • 25 1075.36 cm-1 View
  • 26 1121.67 cm-1 View
  • 27 1147.78 cm-1 View
  • 28 1176.57 cm-1 View
  • 29 1272.81 cm-1 View
  • 30 1306.13 cm-1 View
  • 31 1513.26 cm-1 View
  • 32 1547.54 cm-1 View
  • 33 1565.67 cm-1 View
  • 34 1574.34 cm-1 View
  • 35 1617.70 cm-1 View
  • 36 1620.80 cm-1 View
  • 37 1769.18 cm-1 View
  • 38 1775.22 cm-1 View
  • 39 3040.06 cm-1 View
  • 40 3040.82 cm-1 View
  • 41 3062.77 cm-1 View
  • 42 3077.44 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-10.39kJ mol-1
Polar Solvation Energy-17.69kJ mol-1
Nonpolar Solvation Energy7.32kJ mol-1
Surface Area136.44Å2
Charge of Molecule0
Dipole2.39Debye