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 | 593.12 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 603.03 | 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 | 133.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 167.13 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.04 | J mol-1 K-1 |
| Rotational | 121.93 | J mol-1 K-1 |
| Vibrational | 130.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 419.98 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -308.51 | kJ mol-1 |
Molecular Orbitals
- 1 -550.95 eV View
- 2 -301.69 eV View
- 3 -301.60 eV View
- 4 -300.41 eV View
- 5 -300.35 eV View
- 6 -300.32 eV View
- 7 -300.29 eV View
- 8 -300.15 eV View
- 9 -35.28 eV View
- 10 -28.26 eV View
- 11 -27.22 eV View
- 12 -25.33 eV View
- 13 -23.55 eV View
- 14 -22.40 eV View
- 15 -20.66 eV View
- 16 -20.24 eV View
- 17 -17.03 eV View
- 18 -16.46 eV View
- 19 -15.86 eV View
- 20 -15.71 eV View
- 21 -14.85 eV View
- 22 -14.54 eV View
- 23 -14.48 eV View
- 24 -13.59 eV View
- 25 -13.45 eV View
- 26 -12.90 eV View
- 27 -12.55 eV View
- 28 -12.31 eV View
- 29 -11.62 eV View
- 30 -11.46 eV View
- 31 -10.99 eV View
- 32 -10.08 eV View
- 33 -8.52 eV View
- 34 14.35 eV View
- 35 15.33 eV View
- 36 16.29 eV View
- 37 16.64 eV View
- 38 17.05 eV View
- 39 17.75 eV View
- 40 17.93 eV View
- 41 18.26 eV View
- 42 18.84 eV View
- 43 18.96 eV View
- 44 19.31 eV View
- 45 19.59 eV View
- 46 19.90 eV View
- 47 20.26 eV View
- 48 20.55 eV View
- 49 20.84 eV View
- 50 21.10 eV View
- 51 21.50 eV View
- 52 21.72 eV View
- 53 21.83 eV View
- 54 22.11 eV View
- 55 22.98 eV View
- 56 23.39 eV View