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 | 34.77 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 44.68 | 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 | 50.53 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 83.79 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.13 | J mol-1 K-1 |
| Rotational | 108.93 | J mol-1 K-1 |
| Vibrational | 46.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 322.94 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -294.49 | kJ mol-1 |
Molecular Orbitals
- 1 -2834.96 eV View
- 2 -703.10 eV View
- 3 -703.10 eV View
- 4 -703.10 eV View
- 5 -551.68 eV View
- 6 -294.81 eV View
- 7 -225.09 eV View
- 8 -225.04 eV View
- 9 -225.04 eV View
- 10 -43.78 eV View
- 11 -39.54 eV View
- 12 -39.54 eV View
- 13 -39.04 eV View
- 14 -27.13 eV View
- 15 -20.39 eV View
- 16 -20.39 eV View
- 17 -17.76 eV View
- 18 -12.66 eV View
- 19 -12.66 eV View
- 20 -12.32 eV View
- 21 -12.32 eV View
- 22 -12.31 eV View
- 23 -11.79 eV View
- 24 -10.93 eV View
- 25 -10.93 eV View
- 26 -3.50 eV View
- 27 5.18 eV View
- 28 5.18 eV View
- 29 12.83 eV View