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 | 45.31 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 55.23 | 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 | 104.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 137.67 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 175.42 | J mol-1 K-1 |
| Rotational | 133.75 | J mol-1 K-1 |
| Vibrational | 232.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 541.47 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -481.70 | kJ mol-1 |
Molecular Orbitals
- 1 -2821.78 eV View
- 2 -2821.74 eV View
- 3 -2821.57 eV View
- 4 -2821.24 eV View
- 5 -2477.41 eV View
- 6 -706.79 eV View
- 7 -706.78 eV View
- 8 -282.93 eV View
- 9 -282.86 eV View
- 10 -282.70 eV View
- 11 -282.41 eV View
- 12 -242.52 eV View
- 13 -213.37 eV View
- 14 -213.29 eV View
- 15 -213.17 eV View
- 16 -213.15 eV View
- 17 -213.13 eV View
- 18 -213.11 eV View
- 19 -213.11 eV View
- 20 -212.93 eV View
- 21 -212.93 eV View
- 22 -212.84 eV View
- 23 -212.65 eV View
- 24 -212.65 eV View
- 25 -178.23 eV View
- 26 -178.15 eV View
- 27 -178.01 eV View
- 28 -43.05 eV View
- 29 -41.49 eV View
- 30 -30.68 eV View
- 31 -30.34 eV View
- 32 -25.43 eV View
- 33 -24.86 eV View
- 34 -23.51 eV View
- 35 -16.79 eV View
- 36 -16.51 eV View
- 37 -16.46 eV View
- 38 -14.67 eV View
- 39 -14.16 eV View
- 40 -13.57 eV View
- 41 -13.49 eV View
- 42 -13.47 eV View
- 43 -13.15 eV View
- 44 -13.15 eV View
- 45 -12.72 eV View
- 46 -11.92 eV View
- 47 -10.51 eV View
- 48 -10.32 eV View
- 49 -10.18 eV View
- 50 -10.15 eV View
- 51 -8.36 eV View
- 52 3.87 eV View
- 53 4.47 eV View
- 54 8.89 eV View
- 55 11.16 eV View