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 | 551.66 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 561.58 | 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 | 120.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 153.81 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.67 | J mol-1 K-1 |
| Rotational | 121.69 | J mol-1 K-1 |
| Vibrational | 96.65 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 387.00 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -5.43 | kJ mol-1 |
Molecular Orbitals
- 1 -300.52 eV View
- 2 -300.51 eV View
- 3 -300.47 eV View
- 4 -300.25 eV View
- 5 -300.22 eV View
- 6 -299.61 eV View
- 7 -299.58 eV View
- 8 -299.58 eV View
- 9 -299.56 eV View
- 10 -29.61 eV View
- 11 -27.48 eV View
- 12 -26.83 eV View
- 13 -25.40 eV View
- 14 -23.81 eV View
- 15 -22.66 eV View
- 16 -20.91 eV View
- 17 -19.21 eV View
- 18 -16.72 eV View
- 19 -16.19 eV View
- 20 -16.01 eV View
- 21 -15.55 eV View
- 22 -15.09 eV View
- 23 -14.44 eV View
- 24 -14.41 eV View
- 25 -13.85 eV View
- 26 -13.37 eV View
- 27 -13.13 eV View
- 28 -12.80 eV View
- 29 -12.39 eV View
- 30 -12.29 eV View
- 31 -11.26 eV View
- 32 -10.29 eV View
- 33 -8.06 eV View
- 34 -6.76 eV View
- 35 8.61 eV View
- 36 8.88 eV View
- 37 15.73 eV View
- 38 16.59 eV View
- 39 17.12 eV View
- 40 17.15 eV View
- 41 17.62 eV View
- 42 17.98 eV View
- 43 18.67 eV View
- 44 19.20 eV View
- 45 19.27 eV View
- 46 19.37 eV View
- 47 19.52 eV View
- 48 20.19 eV View
- 49 20.34 eV View
- 50 20.52 eV View
- 51 20.69 eV View
- 52 21.50 eV View
- 53 21.67 eV View
- 54 22.39 eV View
- 55 22.52 eV View
- 56 24.40 eV View
- 57 26.78 eV View
- 58 29.21 eV View
- 59 30.20 eV View