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 | 113.93 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 123.84 | 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 | 18.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 51.26 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 155.66 | J mol-1 K-1 |
| Rotational | 88.80 | J mol-1 K-1 |
| Vibrational | 6.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 251.34 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -166.91 | kJ mol-1 |
Molecular Orbitals
- 1 -537.94 eV View
- 2 -292.84 eV View
- 3 -288.19 eV View
- 4 -25.11 eV View
- 5 -16.61 eV View
- 6 -11.22 eV View
- 7 -7.54 eV View
- 8 -5.75 eV View
- 9 -3.54 eV View
- 10 -3.47 eV View
- 11 1.00 eV View
- 12 3.25 eV View
- 13 18.26 eV View
- 14 25.13 eV View
- 15 27.37 eV View
- 16 29.47 eV View
- 17 34.64 eV View
- 18 36.99 eV View