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 | 580.90 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 590.81 | 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 | 118.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 152.20 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.20 | J mol-1 K-1 |
| Rotational | 118.42 | J mol-1 K-1 |
| Vibrational | 108.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 392.62 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -184.14 | kJ mol-1 |
Molecular Orbitals
- 1 -300.46 eV View
- 2 -300.36 eV View
- 3 -300.31 eV View
- 4 -300.17 eV View
- 5 -300.16 eV View
- 6 -300.13 eV View
- 7 -300.06 eV View
- 8 -28.96 eV View
- 9 -27.21 eV View
- 10 -25.65 eV View
- 11 -23.93 eV View
- 12 -22.45 eV View
- 13 -20.93 eV View
- 14 -19.18 eV View
- 15 -16.83 eV View
- 16 -16.04 eV View
- 17 -15.65 eV View
- 18 -15.04 eV View
- 19 -14.26 eV View
- 20 -13.98 eV View
- 21 -13.63 eV View
- 22 -13.25 eV View
- 23 -13.09 eV View
- 24 -12.49 eV View
- 25 -11.99 eV View
- 26 -11.62 eV View
- 27 -11.02 eV View
- 28 -10.88 eV View
- 29 -10.60 eV View
- 30 15.32 eV View
- 31 15.69 eV View
- 32 16.47 eV View
- 33 17.27 eV View
- 34 17.60 eV View
- 35 17.79 eV View
- 36 18.11 eV View
- 37 18.87 eV View
- 38 19.01 eV View
- 39 19.53 eV View
- 40 19.89 eV View
- 41 20.17 eV View
- 42 20.58 eV View
- 43 20.66 eV View
- 44 20.99 eV View
- 45 21.14 eV View
- 46 21.57 eV View
- 47 21.73 eV View
- 48 22.11 eV View
- 49 22.60 eV View
- 50 22.82 eV View
- 51 23.71 eV View