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 | 430.82 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 440.74 | 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 | 111.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 145.02 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.67 | J mol-1 K-1 |
| Rotational | 120.79 | J mol-1 K-1 |
| Vibrational | 105.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 395.29 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 105.95 | kJ mol-1 |
Molecular Orbitals
- 1 -551.29 eV View
- 2 -302.56 eV View
- 3 -300.95 eV View
- 4 -300.84 eV View
- 5 -300.58 eV View
- 6 -300.56 eV View
- 7 -300.21 eV View
- 8 -300.09 eV View
- 9 -299.45 eV View
- 10 -35.84 eV View
- 11 -29.80 eV View
- 12 -26.88 eV View
- 13 -26.14 eV View
- 14 -25.52 eV View
- 15 -22.26 eV View
- 16 -20.98 eV View
- 17 -19.50 eV View
- 18 -16.85 eV View
- 19 -16.79 eV View
- 20 -15.81 eV View
- 21 -15.49 eV View
- 22 -15.23 eV View
- 23 -14.80 eV View
- 24 -14.08 eV View
- 25 -13.76 eV View
- 26 -13.28 eV View
- 27 -12.30 eV View
- 28 -12.16 eV View
- 29 -11.57 eV View
- 30 -11.19 eV View
- 31 -9.30 eV View
- 32 -8.41 eV View
- 33 -6.69 eV View
- 34 5.32 eV View
- 35 8.05 eV View
- 36 10.73 eV View
- 37 15.48 eV View
- 38 15.69 eV View
- 39 16.55 eV View
- 40 17.37 eV View
- 41 18.26 eV View
- 42 18.67 eV View
- 43 18.99 eV View
- 44 19.14 eV View
- 45 19.67 eV View
- 46 19.92 eV View
- 47 20.07 eV View
- 48 20.64 eV View
- 49 21.34 eV View
- 50 21.45 eV View
- 51 21.72 eV View
- 52 23.13 eV View
- 53 27.46 eV View
- 54 28.45 eV View
- 55 32.19 eV View