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 | 337.87 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 347.78 | 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 | 139.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 173.23 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.16 | J mol-1 K-1 |
| Rotational | 121.77 | J mol-1 K-1 |
| Vibrational | 107.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 400.17 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1097.16 | kJ mol-1 |
Molecular Orbitals
- 1 -554.32 eV View
- 2 -421.01 eV View
- 3 -420.91 eV View
- 4 -420.22 eV View
- 5 -420.16 eV View
- 6 -419.94 eV View
- 7 -419.92 eV View
- 8 -419.04 eV View
- 9 -418.61 eV View
- 10 -418.57 eV View
- 11 -39.93 eV View
- 12 -35.22 eV View
- 13 -34.11 eV View
- 14 -33.78 eV View
- 15 -31.75 eV View
- 16 -29.63 eV View
- 17 -28.05 eV View
- 18 -25.23 eV View
- 19 -24.56 eV View
- 20 -20.56 eV View
- 21 -18.72 eV View
- 22 -18.14 eV View
- 23 -17.96 eV View
- 24 -17.65 eV View
- 25 -16.92 eV View
- 26 -16.56 eV View
- 27 -16.18 eV View
- 28 -15.41 eV View
- 29 -15.24 eV View
- 30 -13.87 eV View
- 31 -12.28 eV View
- 32 -11.86 eV View
- 33 -10.90 eV View
- 34 -10.50 eV View
- 35 -10.14 eV View
- 36 -9.89 eV View
- 37 -9.11 eV View
- 38 -8.52 eV View
- 39 -7.86 eV View
- 40 9.32 eV View
- 41 10.67 eV View
- 42 10.84 eV View
- 43 12.08 eV View
- 44 12.63 eV View
- 45 13.41 eV View
- 46 14.98 eV View
- 47 16.02 eV View
- 48 16.28 eV View
- 49 17.09 eV View
- 50 17.51 eV View
- 51 18.12 eV View
- 52 18.28 eV View
- 53 18.47 eV View
- 54 18.93 eV View
- 55 20.05 eV View
- 56 20.12 eV View
- 57 20.81 eV View