Hexazine
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 | 68.84 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 78.75 | 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 | 27.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 60.66 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.01 | J mol-1 K-1 |
| Rotational | 104.57 | J mol-1 K-1 |
| Vibrational | 14.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 282.96 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 780.69 | kJ mol-1 |
Molecular Orbitals
- 1 -423.51 eV View
- 2 -423.50 eV View
- 3 -423.50 eV View
- 4 -423.50 eV View
- 5 -423.50 eV View
- 6 -423.49 eV View
- 7 -43.24 eV View
- 8 -37.87 eV View
- 9 -37.87 eV View
- 10 -28.92 eV View
- 11 -28.92 eV View
- 12 -22.39 eV View
- 13 -19.47 eV View
- 14 -19.12 eV View
- 15 -15.33 eV View
- 16 -15.18 eV View
- 17 -15.18 eV View
- 18 -13.90 eV View
- 19 -13.90 eV View
- 20 -10.80 eV View
- 21 -10.80 eV View
- 22 2.18 eV View
- 23 2.18 eV View
- 24 8.78 eV View
- 25 13.31 eV View
- 26 13.31 eV View
- 27 18.45 eV View
- 28 18.45 eV View
- 29 18.55 eV View
- 30 25.66 eV View
Vibrational Frequencies
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