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 | 345.51 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 355.42 | 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 | 106.86 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 140.12 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.07 | J mol-1 K-1 |
| Rotational | 118.34 | J mol-1 K-1 |
| Vibrational | 89.21 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 376.61 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -841.08 | kJ mol-1 |
Molecular Orbitals
- 1 -705.54 eV View
- 2 -705.20 eV View
- 3 -551.87 eV View
- 4 -551.34 eV View
- 5 -304.15 eV View
- 6 -302.57 eV View
- 7 -302.37 eV View
- 8 -300.09 eV View
- 9 -41.28 eV View
- 10 -40.55 eV View
- 11 -35.90 eV View
- 12 -35.61 eV View
- 13 -27.29 eV View
- 14 -25.03 eV View
- 15 -22.43 eV View
- 16 -20.36 eV View
- 17 -19.02 eV View
- 18 -17.47 eV View
- 19 -16.47 eV View
- 20 -16.23 eV View
- 21 -16.00 eV View
- 22 -15.24 eV View
- 23 -14.48 eV View
- 24 -13.77 eV View
- 25 -13.35 eV View
- 26 -12.95 eV View
- 27 -12.58 eV View
- 28 -12.12 eV View
- 29 -11.30 eV View
- 30 -10.87 eV View
- 31 -10.49 eV View
- 32 -10.33 eV View
- 33 -9.14 eV View
- 34 13.68 eV View
- 35 14.30 eV View
- 36 15.44 eV View
- 37 16.19 eV View
- 38 16.90 eV View
- 39 17.83 eV View
- 40 18.04 eV View
- 41 18.52 eV View
- 42 19.03 eV View
- 43 20.05 eV View
- 44 20.36 eV View
- 45 20.72 eV View
- 46 21.03 eV View
- 47 21.12 eV View
- 48 22.09 eV View