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 | 413.02 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 422.94 | 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 | 99.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 133.07 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.15 | J mol-1 K-1 |
| Rotational | 116.97 | J mol-1 K-1 |
| Vibrational | 90.35 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 374.47 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 716.83 | kJ mol-1 |
Molecular Orbitals
- 1 -427.36 eV View
- 2 -308.50 eV View
- 3 -308.42 eV View
- 4 -307.43 eV View
- 5 -307.34 eV View
- 6 -306.28 eV View
- 7 -306.25 eV View
- 8 -305.15 eV View
- 9 -40.25 eV View
- 10 -34.80 eV View
- 11 -32.80 eV View
- 12 -31.28 eV View
- 13 -29.25 eV View
- 14 -28.02 eV View
- 15 -26.59 eV View
- 16 -23.61 eV View
- 17 -23.01 eV View
- 18 -21.99 eV View
- 19 -21.74 eV View
- 20 -21.02 eV View
- 21 -20.45 eV View
- 22 -19.58 eV View
- 23 -19.44 eV View
- 24 -18.63 eV View
- 25 -18.31 eV View
- 26 -17.82 eV View
- 27 -17.53 eV View
- 28 -14.35 eV View
- 29 -14.03 eV View
- 30 -0.72 eV View
- 31 1.17 eV View
- 32 6.56 eV View
- 33 8.44 eV View
- 34 10.04 eV View
- 35 10.18 eV View
- 36 11.31 eV View
- 37 11.84 eV View
- 38 13.40 eV View
- 39 13.49 eV View
- 40 13.73 eV View
- 41 14.28 eV View
- 42 14.52 eV View
- 43 15.09 eV View
- 44 15.87 eV View
- 45 16.07 eV View
- 46 17.44 eV View
- 47 17.82 eV View
- 48 18.15 eV View
- 49 22.80 eV View
- 50 23.46 eV View