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 | 285.11 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 295.03 | 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 | 66.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 100.06 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.93 | J mol-1 K-1 |
| Rotational | 108.28 | J mol-1 K-1 |
| Vibrational | 65.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 336.52 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -409.54 | kJ mol-1 |
Molecular Orbitals
- 1 -544.58 eV View
- 2 -544.52 eV View
- 3 -423.14 eV View
- 4 -300.09 eV View
- 5 -298.86 eV View
- 6 -35.19 eV View
- 7 -32.96 eV View
- 8 -29.31 eV View
- 9 -23.96 eV View
- 10 -20.68 eV View
- 11 -20.44 eV View
- 12 -19.82 eV View
- 13 -15.53 eV View
- 14 -13.53 eV View
- 15 -13.21 eV View
- 16 -12.15 eV View
- 17 -9.95 eV View
- 18 -9.82 eV View
- 19 -5.63 eV View
- 20 -5.06 eV View
- 21 -4.10 eV View
- 22 11.86 eV View
- 23 14.17 eV View
- 24 15.63 eV View
- 25 16.33 eV View
- 26 16.94 eV View
- 27 19.74 eV View
- 28 20.89 eV View
- 29 20.98 eV View
- 30 21.59 eV View
- 31 28.45 eV View
- 32 29.49 eV View