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 | 69.56 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 79.48 | 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 | 98.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 131.62 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 174.82 | J mol-1 K-1 |
| Rotational | 128.91 | J mol-1 K-1 |
| Vibrational | 126.19 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 429.91 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -203.93 | kJ mol-1 |
Molecular Orbitals
- 1 -2822.13 eV View
- 2 -2821.90 eV View
- 3 -2821.46 eV View
- 4 -2821.10 eV View
- 5 -556.45 eV View
- 6 -555.51 eV View
- 7 -555.40 eV View
- 8 -307.76 eV View
- 9 -283.20 eV View
- 10 -283.00 eV View
- 11 -282.60 eV View
- 12 -282.29 eV View
- 13 -213.64 eV View
- 14 -213.45 eV View
- 15 -213.44 eV View
- 16 -213.43 eV View
- 17 -213.25 eV View
- 18 -213.24 eV View
- 19 -213.02 eV View
- 20 -212.85 eV View
- 21 -212.85 eV View
- 22 -212.71 eV View
- 23 -212.55 eV View
- 24 -212.54 eV View
- 25 -40.31 eV View
- 26 -38.22 eV View
- 27 -34.77 eV View
- 28 -30.22 eV View
- 29 -28.52 eV View
- 30 -27.28 eV View
- 31 -26.46 eV View
- 32 -21.29 eV View
- 33 -18.23 eV View
- 34 -18.07 eV View
- 35 -17.30 eV View
- 36 -15.84 eV View
- 37 -15.02 eV View
- 38 -14.54 eV View
- 39 -13.44 eV View
- 40 -12.93 eV View
- 41 -12.69 eV View
- 42 -11.78 eV View
- 43 -11.68 eV View
- 44 -11.48 eV View
- 45 -11.34 eV View
- 46 -11.00 eV View
- 47 -10.85 eV View
- 48 -10.57 eV View
- 49 -10.40 eV View
- 50 4.94 eV View
- 51 6.08 eV View
- 52 7.77 eV View
- 53 8.00 eV View
- 54 10.22 eV View
- 55 15.26 eV View
- 56 16.49 eV View