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 | 265.92 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 275.83 | 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 | 73.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 106.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.79 | J mol-1 K-1 |
| Rotational | 116.33 | J mol-1 K-1 |
| Vibrational | 47.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 330.40 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1034.52 | kJ mol-1 |
Molecular Orbitals
- 1 -433.28 eV View
- 2 -432.56 eV View
- 3 -308.95 eV View
- 4 -307.10 eV View
- 5 -307.10 eV View
- 6 -306.40 eV View
- 7 -305.89 eV View
- 8 -305.89 eV View
- 9 -47.71 eV View
- 10 -37.05 eV View
- 11 -34.15 eV View
- 12 -32.08 eV View
- 13 -29.87 eV View
- 14 -27.21 eV View
- 15 -25.58 eV View
- 16 -24.90 eV View
- 17 -24.31 eV View
- 18 -24.21 eV View
- 19 -22.82 eV View
- 20 -21.04 eV View
- 21 -20.68 eV View
- 22 -20.39 eV View
- 23 -18.42 eV View
- 24 -18.07 eV View
- 25 -17.52 eV View
- 26 -13.87 eV View
- 27 -13.44 eV View
- 28 -2.52 eV View
- 29 -1.47 eV View
- 30 1.71 eV View
- 31 2.02 eV View
- 32 5.99 eV View
- 33 7.85 eV View
- 34 10.88 eV View
- 35 11.70 eV View
- 36 11.81 eV View
- 37 14.12 eV View
- 38 14.28 eV View
- 39 16.67 eV View
- 40 17.49 eV View
- 41 18.30 eV View
- 42 18.31 eV View
- 43 23.33 eV View
- 44 23.35 eV View
- 45 25.70 eV View