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 | 34.03 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 43.95 | 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 | 45.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 78.85 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.05 | J mol-1 K-1 |
| Rotational | 106.13 | J mol-1 K-1 |
| Vibrational | 29.79 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 301.97 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -976.90 | kJ mol-1 |
Molecular Orbitals
- 1 -2478.28 eV View
- 2 -696.83 eV View
- 3 -538.73 eV View
- 4 -538.73 eV View
- 5 -538.73 eV View
- 6 -242.47 eV View
- 7 -178.18 eV View
- 8 -178.18 eV View
- 9 -178.13 eV View
- 10 -35.04 eV View
- 11 -30.24 eV View
- 12 -26.52 eV View
- 13 -26.52 eV View
- 14 -13.38 eV View
- 15 -10.20 eV View
- 16 -8.89 eV View
- 17 -8.89 eV View
- 18 -5.74 eV View
- 19 -5.74 eV View
- 20 -1.97 eV View
- 21 -1.61 eV View
- 22 -1.61 eV View
- 23 -1.38 eV View
- 24 -0.84 eV View
- 25 -0.84 eV View
- 26 16.77 eV View
- 27 20.90 eV View
- 28 23.55 eV View
- 29 23.55 eV View