(2-phosphanylphenyl)phosphane
Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 295.96 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 305.88 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 113.98 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 147.24 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.55 | J mol-1 K-1 |
| Rotational | 123.62 | J mol-1 K-1 |
| Vibrational | 101.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 395.69 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 162.25 | kJ mol-1 |
Molecular Orbitals
- 1 -2151.18 eV View
- 2 -2150.99 eV View
- 3 -300.79 eV View
- 4 -300.65 eV View
- 5 -300.59 eV View
- 6 -300.52 eV View
- 7 -300.48 eV View
- 8 -300.46 eV View
- 9 -200.32 eV View
- 10 -200.12 eV View
- 11 -141.23 eV View
- 12 -141.21 eV View
- 13 -141.12 eV View
- 14 -141.02 eV View
- 15 -141.01 eV View
- 16 -140.92 eV View
- 17 -30.28 eV View
- 18 -26.79 eV View
- 19 -26.64 eV View
- 20 -23.26 eV View
- 21 -22.67 eV View
- 22 -21.06 eV View
- 23 -20.08 eV View
- 24 -17.49 eV View
- 25 -16.08 eV View
- 26 -15.67 eV View
- 27 -14.55 eV View
- 28 -14.25 eV View
- 29 -14.09 eV View
- 30 -13.63 eV View
- 31 -12.78 eV View
- 32 -11.83 eV View
- 33 -11.34 eV View
- 34 -9.26 eV View
- 35 -9.21 eV View
- 36 -7.79 eV View
- 37 -7.46 eV View
- 38 6.61 eV View
- 39 6.85 eV View
- 40 9.62 eV View
- 41 11.53 eV View
- 42 12.02 eV View
- 43 12.41 eV View
- 44 14.04 eV View
- 45 15.97 eV View
- 46 16.36 eV View
- 47 17.10 eV View
- 48 17.68 eV View
- 49 19.36 eV View
- 50 19.56 eV View
- 51 22.63 eV View
- 52 22.91 eV View
- 53 23.97 eV View
- 54 24.23 eV View
- 55 29.34 eV View
- 56 30.39 eV View
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 |
|
| Property | Value | Unit |
| Total Solvation Energy | -10.39 | kJ mol-1 |
| Polar Solvation Energy | -17.69 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.32 | kJ mol-1 |
| Surface Area | 136.44 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.39 | Debye |