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 | 249.19 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 259.10 | 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 | 77.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.41 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.46 | J mol-1 K-1 |
| Rotational | 117.49 | J mol-1 K-1 |
| Vibrational | 45.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 330.94 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 260.24 | kJ mol-1 |
Molecular Orbitals
- 1 -420.01 eV View
- 2 -417.95 eV View
- 3 -417.42 eV View
- 4 -417.21 eV View
- 5 -303.00 eV View
- 6 -302.92 eV View
- 7 -302.55 eV View
- 8 -302.13 eV View
- 9 -301.39 eV View
- 10 -35.21 eV View
- 11 -33.44 eV View
- 12 -31.03 eV View
- 13 -29.94 eV View
- 14 -26.82 eV View
- 15 -23.01 eV View
- 16 -22.02 eV View
- 17 -21.22 eV View
- 18 -19.41 eV View
- 19 -17.89 eV View
- 20 -16.40 eV View
- 21 -15.74 eV View
- 22 -15.64 eV View
- 23 -14.99 eV View
- 24 -14.61 eV View
- 25 -12.89 eV View
- 26 -11.24 eV View
- 27 -10.67 eV View
- 28 -9.81 eV View
- 29 -8.58 eV View
- 30 -8.20 eV View
- 31 -7.58 eV View
- 32 5.32 eV View
- 33 6.56 eV View
- 34 8.66 eV View
- 35 12.71 eV View
- 36 14.24 eV View
- 37 15.31 eV View
- 38 15.84 eV View
- 39 16.54 eV View
- 40 17.31 eV View
- 41 18.47 eV View
- 42 18.92 eV View
- 43 20.51 eV View
- 44 21.99 eV View
- 45 22.77 eV View
- 46 24.17 eV View
- 47 25.60 eV View
- 48 27.86 eV View
- 49 28.85 eV View