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 | 528.44 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 538.35 | 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 | 140.54 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 173.80 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.04 | J mol-1 K-1 |
| Rotational | 119.28 | J mol-1 K-1 |
| Vibrational | 128.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 415.41 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 643.89 | kJ mol-1 |
Molecular Orbitals
- 1 -425.44 eV View
- 2 -425.07 eV View
- 3 -422.93 eV View
- 4 -311.57 eV View
- 5 -307.12 eV View
- 6 -306.96 eV View
- 7 -306.03 eV View
- 8 -306.03 eV View
- 9 -40.18 eV View
- 10 -37.21 eV View
- 11 -36.36 eV View
- 12 -30.44 eV View
- 13 -30.23 eV View
- 14 -29.48 eV View
- 15 -27.75 eV View
- 16 -25.35 eV View
- 17 -24.35 eV View
- 18 -23.19 eV View
- 19 -21.96 eV View
- 20 -21.39 eV View
- 21 -20.45 eV View
- 22 -20.35 eV View
- 23 -20.18 eV View
- 24 -19.52 eV View
- 25 -19.40 eV View
- 26 -18.72 eV View
- 27 -18.28 eV View
- 28 -18.12 eV View
- 29 -17.66 eV View
- 30 -17.46 eV View
- 31 -14.31 eV View
- 32 -13.51 eV View
- 33 0.69 eV View
- 34 7.90 eV View
- 35 8.55 eV View
- 36 9.38 eV View
- 37 10.82 eV View
- 38 11.01 eV View
- 39 12.13 eV View
- 40 12.38 eV View
- 41 13.05 eV View
- 42 13.44 eV View
- 43 13.86 eV View
- 44 14.06 eV View
- 45 14.32 eV View
- 46 14.78 eV View
- 47 14.84 eV View
- 48 15.58 eV View
- 49 15.86 eV View
- 50 15.96 eV View
- 51 16.40 eV View
- 52 17.26 eV View
- 53 18.08 eV View
- 54 20.16 eV View