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 | 461.53 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 471.45 | 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 | 151.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 184.28 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.99 | J mol-1 K-1 |
| Rotational | 123.64 | J mol-1 K-1 |
| Vibrational | 168.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 463.35 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 267.12 | kJ mol-1 |
Molecular Orbitals
- 1 -2163.29 eV View
- 2 -557.24 eV View
- 3 -556.89 eV View
- 4 -306.80 eV View
- 5 -306.62 eV View
- 6 -306.53 eV View
- 7 -306.48 eV View
- 8 -305.67 eV View
- 9 -305.60 eV View
- 10 -211.64 eV View
- 11 -152.60 eV View
- 12 -152.59 eV View
- 13 -152.57 eV View
- 14 -41.91 eV View
- 15 -40.68 eV View
- 16 -33.91 eV View
- 17 -32.54 eV View
- 18 -30.06 eV View
- 19 -28.86 eV View
- 20 -27.46 eV View
- 21 -26.33 eV View
- 22 -24.08 eV View
- 23 -22.87 eV View
- 24 -21.95 eV View
- 25 -21.56 eV View
- 26 -21.11 eV View
- 27 -20.99 eV View
- 28 -20.39 eV View
- 29 -20.19 eV View
- 30 -19.64 eV View
- 31 -19.40 eV View
- 32 -18.97 eV View
- 33 -17.47 eV View
- 34 -16.91 eV View
- 35 -15.90 eV View
- 36 -15.17 eV View
- 37 -14.84 eV View
- 38 -14.69 eV View
- 39 -14.36 eV View
- 40 0.64 eV View
- 41 2.56 eV View
- 42 4.26 eV View
- 43 5.95 eV View
- 44 7.18 eV View
- 45 7.58 eV View
- 46 10.55 eV View
- 47 12.32 eV View
- 48 12.41 eV View
- 49 12.90 eV View
- 50 13.21 eV View
- 51 14.53 eV View
- 52 14.54 eV View
- 53 14.64 eV View
- 54 14.79 eV View
- 55 15.59 eV View
- 56 15.85 eV View
- 57 16.35 eV View
- 58 18.54 eV View
- 59 18.97 eV View
- 60 21.23 eV View
- 61 22.19 eV View