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 | 35.40 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 45.32 | 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 | 42.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 75.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.14 | J mol-1 K-1 |
| Rotational | 107.30 | J mol-1 K-1 |
| Vibrational | 33.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 307.95 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -803.96 | kJ mol-1 |
Molecular Orbitals
- 1 -2484.63 eV View
- 2 -705.77 eV View
- 3 -705.76 eV View
- 4 -703.96 eV View
- 5 -703.95 eV View
- 6 -248.83 eV View
- 7 -184.52 eV View
- 8 -184.50 eV View
- 9 -184.40 eV View
- 10 -44.18 eV View
- 11 -41.78 eV View
- 12 -40.74 eV View
- 13 -39.29 eV View
- 14 -24.95 eV View
- 15 -18.42 eV View
- 16 -18.34 eV View
- 17 -18.20 eV View
- 18 -15.34 eV View
- 19 -14.30 eV View
- 20 -13.95 eV View
- 21 -13.18 eV View
- 22 -12.20 eV View
- 23 -12.16 eV View
- 24 -11.93 eV View
- 25 -10.86 eV View
- 26 -9.37 eV View
- 27 9.16 eV View
- 28 10.55 eV View
- 29 10.82 eV View