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 | 246.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 256.41 | 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 | 88.35 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 121.61 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.07 | J mol-1 K-1 |
| Rotational | 117.42 | J mol-1 K-1 |
| Vibrational | 45.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 333.91 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1036.93 | kJ mol-1 |
Molecular Orbitals
- 1 -552.58 eV View
- 2 -552.57 eV View
- 3 -552.57 eV View
- 4 -552.57 eV View
- 5 -552.57 eV View
- 6 -552.57 eV View
- 7 -305.89 eV View
- 8 -305.89 eV View
- 9 -305.89 eV View
- 10 -305.87 eV View
- 11 -41.14 eV View
- 12 -37.33 eV View
- 13 -37.33 eV View
- 14 -37.33 eV View
- 15 -34.74 eV View
- 16 -34.74 eV View
- 17 -24.88 eV View
- 18 -24.88 eV View
- 19 -24.88 eV View
- 20 -20.64 eV View
- 21 -18.01 eV View
- 22 -18.01 eV View
- 23 -18.01 eV View
- 24 -17.25 eV View
- 25 -16.64 eV View
- 26 -16.64 eV View
- 27 -16.64 eV View
- 28 -15.46 eV View
- 29 -15.46 eV View
- 30 -15.46 eV View
- 31 -11.44 eV View
- 32 -11.44 eV View
- 33 -10.71 eV View
- 34 -10.71 eV View
- 35 -10.71 eV View
- 36 -9.86 eV View
- 37 -9.86 eV View
- 38 -9.86 eV View
- 39 11.81 eV View
- 40 11.81 eV View
- 41 14.62 eV View
- 42 14.62 eV View
- 43 14.62 eV View
- 44 15.63 eV View
- 45 16.66 eV View
- 46 16.66 eV View
- 47 16.67 eV View
- 48 17.23 eV View
- 49 18.87 eV View
- 50 18.88 eV View
- 51 18.88 eV View
- 52 19.96 eV View
- 53 19.96 eV View
- 54 19.97 eV View