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 | 217.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 227.58 | 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 | 21.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 54.27 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 155.95 | J mol-1 K-1 |
| Rotational | 92.22 | J mol-1 K-1 |
| Vibrational | 7.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 255.89 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 724.51 | kJ mol-1 |
Molecular Orbitals
- 1 -430.59 eV View
- 2 -307.78 eV View
- 3 -306.84 eV View
- 4 -42.03 eV View
- 5 -33.02 eV View
- 6 -27.88 eV View
- 7 -27.16 eV View
- 8 -26.78 eV View
- 9 -23.41 eV View
- 10 -21.15 eV View
- 11 -19.37 eV View
- 12 -15.38 eV View
- 13 1.88 eV View
- 14 7.54 eV View
- 15 8.51 eV View
- 16 8.71 eV View
- 17 9.92 eV View
- 18 11.63 eV View
- 19 13.18 eV View
- 20 18.18 eV View
- 21 20.38 eV View