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 | 420.91 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 430.83 | 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 | 90.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 123.27 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.92 | J mol-1 K-1 |
| Rotational | 117.41 | J mol-1 K-1 |
| Vibrational | 66.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 350.78 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -11.28 | kJ mol-1 |
Molecular Orbitals
- 1 -1086.33 eV View
- 2 -299.66 eV View
- 3 -299.47 eV View
- 4 -299.47 eV View
- 5 -299.30 eV View
- 6 -299.30 eV View
- 7 -297.43 eV View
- 8 -72.31 eV View
- 9 -35.33 eV View
- 10 -35.30 eV View
- 11 -35.30 eV View
- 12 -28.31 eV View
- 13 -25.32 eV View
- 14 -24.87 eV View
- 15 -20.64 eV View
- 16 -20.01 eV View
- 17 -18.28 eV View
- 18 -15.72 eV View
- 19 -14.57 eV View
- 20 -14.52 eV View
- 21 -13.84 eV View
- 22 -12.45 eV View
- 23 -12.00 eV View
- 24 -11.46 eV View
- 25 -11.34 eV View
- 26 -11.00 eV View
- 27 -10.02 eV View
- 28 -9.52 eV View
- 29 -4.50 eV View
- 30 4.30 eV View
- 31 8.90 eV View
- 32 8.95 eV View
- 33 14.51 eV View
- 34 16.32 eV View
- 35 17.57 eV View
- 36 17.59 eV View
- 37 18.54 eV View
- 38 18.58 eV View
- 39 19.87 eV View
- 40 20.12 eV View
- 41 20.50 eV View
- 42 20.84 eV View
- 43 21.58 eV View
- 44 21.81 eV View
- 45 21.95 eV View
- 46 22.31 eV View
- 47 23.00 eV View
- 48 23.22 eV View
- 49 24.25 eV View
- 50 24.44 eV View