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 | 479.96 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 489.88 | 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 | 141.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 174.31 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.65 | J mol-1 K-1 |
| Rotational | 125.11 | J mol-1 K-1 |
| Vibrational | 169.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 464.57 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -274.67 | kJ mol-1 |
Molecular Orbitals
- 1 -552.56 eV View
- 2 -552.38 eV View
- 3 -551.13 eV View
- 4 -302.20 eV View
- 5 -301.90 eV View
- 6 -301.85 eV View
- 7 -300.43 eV View
- 8 -300.01 eV View
- 9 -299.93 eV View
- 10 -37.22 eV View
- 11 -35.39 eV View
- 12 -31.79 eV View
- 13 -27.94 eV View
- 14 -26.46 eV View
- 15 -24.30 eV View
- 16 -21.87 eV View
- 17 -21.40 eV View
- 18 -19.51 eV View
- 19 -17.00 eV View
- 20 -16.88 eV View
- 21 -16.52 eV View
- 22 -15.71 eV View
- 23 -15.49 eV View
- 24 -15.02 eV View
- 25 -14.79 eV View
- 26 -13.85 eV View
- 27 -13.26 eV View
- 28 -12.88 eV View
- 29 -12.75 eV View
- 30 -12.49 eV View
- 31 -11.69 eV View
- 32 -10.59 eV View
- 33 -10.44 eV View
- 34 -9.11 eV View
- 35 -8.98 eV View
- 36 -7.98 eV View
- 37 8.30 eV View
- 38 10.75 eV View
- 39 14.30 eV View
- 40 15.48 eV View
- 41 17.01 eV View
- 42 17.09 eV View
- 43 17.72 eV View
- 44 18.14 eV View
- 45 18.52 eV View
- 46 18.81 eV View
- 47 18.94 eV View
- 48 19.16 eV View
- 49 19.39 eV View
- 50 19.48 eV View
- 51 20.14 eV View
- 52 20.50 eV View
- 53 20.70 eV View
- 54 21.04 eV View
- 55 21.89 eV View
- 56 25.42 eV View
- 57 28.17 eV View