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 | 192.12 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 202.03 | 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 | 52.63 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 85.89 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.42 | J mol-1 K-1 |
| Rotational | 100.64 | J mol-1 K-1 |
| Vibrational | 43.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 304.64 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -124.98 | kJ mol-1 |
Molecular Orbitals
- 1 -552.16 eV View
- 2 -552.16 eV View
- 3 -419.43 eV View
- 4 -301.64 eV View
- 5 -37.75 eV View
- 6 -34.35 eV View
- 7 -27.81 eV View
- 8 -22.43 eV View
- 9 -17.32 eV View
- 10 -16.57 eV View
- 11 -15.45 eV View
- 12 -14.27 eV View
- 13 -14.25 eV View
- 14 -12.83 eV View
- 15 -10.81 eV View
- 16 -10.14 eV View
- 17 -8.36 eV View
- 18 14.12 eV View
- 19 14.26 eV View
- 20 16.97 eV View
- 21 18.12 eV View
- 22 18.46 eV View
- 23 19.37 eV View
- 24 19.54 eV View
- 25 19.77 eV View