Phosphinine
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 | 219.96 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 229.88 | 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 | 58.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 91.50 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.67 | J mol-1 K-1 |
| Rotational | 110.77 | J mol-1 K-1 |
| Vibrational | 29.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 306.31 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 180.55 | kJ mol-1 |
Molecular Orbitals
- 1 -2149.86 eV View
- 2 -300.94 eV View
- 3 -300.73 eV View
- 4 -300.72 eV View
- 5 -300.42 eV View
- 6 -300.41 eV View
- 7 -199.11 eV View
- 8 -140.01 eV View
- 9 -139.94 eV View
- 10 -139.93 eV View
- 11 -29.73 eV View
- 12 -26.62 eV View
- 13 -25.39 eV View
- 14 -21.05 eV View
- 15 -20.46 eV View
- 16 -18.00 eV View
- 17 -15.74 eV View
- 18 -15.40 eV View
- 19 -14.95 eV View
- 20 -13.54 eV View
- 21 -12.54 eV View
- 22 -11.37 eV View
- 23 -8.60 eV View
- 24 -8.42 eV View
- 25 -7.56 eV View
- 26 4.88 eV View
- 27 6.84 eV View
- 28 12.29 eV View
- 29 13.09 eV View
- 30 15.22 eV View
- 31 15.50 eV View
- 32 17.54 eV View
- 33 19.12 eV View
- 34 19.78 eV View
- 35 21.05 eV View
- 36 23.23 eV View
- 37 23.85 eV View
- 38 28.27 eV View
- 39 28.45 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 273.90 cm-1 View
- 2 307.46 cm-1 View
- 3 424.12 cm-1 View
- 4 471.54 cm-1 View
- 5 556.77 cm-1 View
- 6 630.89 cm-1 View
- 7 667.68 cm-1 View
- 8 714.59 cm-1 View
- 9 822.67 cm-1 View
- 10 869.39 cm-1 View
- 11 881.93 cm-1 View
- 12 980.60 cm-1 View
- 13 1012.40 cm-1 View
- 14 1072.38 cm-1 View
- 15 1087.09 cm-1 View
- 16 1143.13 cm-1 View
- 17 1155.72 cm-1 View
- 18 1190.90 cm-1 View
- 19 1370.52 cm-1 View
- 20 1436.17 cm-1 View
- 21 1630.25 cm-1 View
- 22 1750.44 cm-1 View
- 23 3025.32 cm-1 View
- 24 3027.07 cm-1 View
- 25 3056.74 cm-1 View
- 26 3089.43 cm-1 View
- 27 3091.43 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.07 | kJ mol-1 |
| Polar Solvation Energy | -9.69 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.60 | kJ mol-1 |
| Surface Area | 102.02 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.25 | Debye |