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 | 169.96 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 179.88 | 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 | 53.67 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 86.92 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.67 | J mol-1 K-1 |
| Rotational | 110.36 | J mol-1 K-1 |
| Vibrational | 42.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 318.11 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -49.19 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.33 eV View
- 2 -2473.93 eV View
- 3 -303.44 eV View
- 4 -301.45 eV View
- 5 -280.62 eV View
- 6 -239.28 eV View
- 7 -211.04 eV View
- 8 -210.89 eV View
- 9 -210.88 eV View
- 10 -174.98 eV View
- 11 -174.90 eV View
- 12 -174.80 eV View
- 13 -30.15 eV View
- 14 -26.20 eV View
- 15 -25.21 eV View
- 16 -21.13 eV View
- 17 -16.60 eV View
- 18 -15.88 eV View
- 19 -15.07 eV View
- 20 -13.54 eV View
- 21 -13.18 eV View
- 22 -11.40 eV View
- 23 -10.08 eV View
- 24 -9.89 eV View
- 25 -8.84 eV View
- 26 9.37 eV View
- 27 10.72 eV View
- 28 12.70 eV View
- 29 16.19 eV View
- 30 18.00 eV View
- 31 18.75 eV View
- 32 19.30 eV View
- 33 19.72 eV View