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 | 473.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 483.17 | 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 | 110.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 144.14 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.60 | J mol-1 K-1 |
| Rotational | 120.27 | J mol-1 K-1 |
| Vibrational | 108.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 396.28 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -136.41 | kJ mol-1 |
Molecular Orbitals
- 1 -551.94 eV View
- 2 -302.48 eV View
- 3 -301.05 eV View
- 4 -300.75 eV View
- 5 -300.57 eV View
- 6 -300.39 eV View
- 7 -300.38 eV View
- 8 -300.37 eV View
- 9 -36.19 eV View
- 10 -30.26 eV View
- 11 -28.04 eV View
- 12 -25.07 eV View
- 13 -22.47 eV View
- 14 -21.37 eV View
- 15 -20.17 eV View
- 16 -19.90 eV View
- 17 -17.16 eV View
- 18 -16.55 eV View
- 19 -16.14 eV View
- 20 -15.77 eV View
- 21 -14.57 eV View
- 22 -14.21 eV View
- 23 -14.00 eV View
- 24 -12.95 eV View
- 25 -12.79 eV View
- 26 -12.27 eV View
- 27 -11.85 eV View
- 28 -11.11 eV View
- 29 -10.41 eV View
- 30 -10.02 eV View
- 31 -8.89 eV View
- 32 8.05 eV View
- 33 13.17 eV View
- 34 14.22 eV View
- 35 15.74 eV View
- 36 16.84 eV View
- 37 17.77 eV View
- 38 17.85 eV View
- 39 18.52 eV View
- 40 18.59 eV View
- 41 19.19 eV View
- 42 19.36 eV View
- 43 19.73 eV View
- 44 20.01 eV View
- 45 20.51 eV View
- 46 21.02 eV View
- 47 21.60 eV View
- 48 22.17 eV View
- 49 22.42 eV View
- 50 22.97 eV View
- 51 23.38 eV View
- 52 26.85 eV View