Tris-phosphanylphosphane
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 | 126.36 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 136.28 | 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 | 93.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 126.86 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.45 | J mol-1 K-1 |
| Rotational | 119.07 | J mol-1 K-1 |
| Vibrational | 96.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 385.17 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -85.65 | kJ mol-1 |
Molecular Orbitals
- 1 -2151.94 eV View
- 2 -2151.93 eV View
- 3 -2151.93 eV View
- 4 -2150.33 eV View
- 5 -201.03 eV View
- 6 -201.03 eV View
- 7 -201.03 eV View
- 8 -199.67 eV View
- 9 -141.94 eV View
- 10 -141.94 eV View
- 11 -141.94 eV View
- 12 -141.93 eV View
- 13 -141.92 eV View
- 14 -141.92 eV View
- 15 -141.83 eV View
- 16 -141.82 eV View
- 17 -141.82 eV View
- 18 -140.67 eV View
- 19 -140.66 eV View
- 20 -140.49 eV View
- 21 -25.42 eV View
- 22 -23.31 eV View
- 23 -23.31 eV View
- 24 -18.80 eV View
- 25 -15.22 eV View
- 26 -14.65 eV View
- 27 -14.65 eV View
- 28 -13.49 eV View
- 29 -13.49 eV View
- 30 -9.34 eV View
- 31 -9.01 eV View
- 32 -9.00 eV View
- 33 -7.52 eV View
- 34 5.52 eV View
- 35 9.82 eV View
- 36 9.83 eV View
- 37 11.89 eV View
- 38 11.89 eV View
- 39 13.29 eV View
- 40 15.92 eV View
- 41 16.60 eV View
- 42 16.60 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 64.20 cm-1 View
- 2 128.77 cm-1 View
- 3 128.83 cm-1 View
- 4 144.05 cm-1 View
- 5 144.93 cm-1 View
- 6 155.58 cm-1 View
- 7 356.48 cm-1 View
- 8 514.95 cm-1 View
- 9 515.15 cm-1 View
- 10 621.23 cm-1 View
- 11 670.54 cm-1 View
- 12 671.08 cm-1 View
- 13 671.72 cm-1 View
- 14 736.44 cm-1 View
- 15 736.75 cm-1 View
- 16 937.52 cm-1 View
- 17 940.71 cm-1 View
- 18 940.72 cm-1 View
- 19 1552.33 cm-1 View
- 20 1552.53 cm-1 View
- 21 1563.04 cm-1 View
- 22 1614.33 cm-1 View
- 23 1614.41 cm-1 View
- 24 1617.26 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -35.56 | kJ mol-1 |
| Polar Solvation Energy | -32.52 | kJ mol-1 |
| Nonpolar Solvation Energy | -3.01 | kJ mol-1 |
| Surface Area | 127.17 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.03 | Debye |