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 | 264.84 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 274.75 | 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 | 81.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 114.97 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.49 | J mol-1 K-1 |
| Rotational | 116.81 | J mol-1 K-1 |
| Vibrational | 52.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 337.01 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -58.15 | kJ mol-1 |
Molecular Orbitals
- 1 -549.93 eV View
- 2 -418.92 eV View
- 3 -417.96 eV View
- 4 -416.00 eV View
- 5 -303.91 eV View
- 6 -303.32 eV View
- 7 -302.87 eV View
- 8 -300.18 eV View
- 9 -35.78 eV View
- 10 -33.07 eV View
- 11 -32.08 eV View
- 12 -29.71 eV View
- 13 -27.01 eV View
- 14 -22.49 eV View
- 15 -21.54 eV View
- 16 -18.85 eV View
- 17 -18.31 eV View
- 18 -17.31 eV View
- 19 -16.25 eV View
- 20 -15.07 eV View
- 21 -14.95 eV View
- 22 -14.63 eV View
- 23 -13.16 eV View
- 24 -12.49 eV View
- 25 -11.19 eV View
- 26 -9.56 eV View
- 27 -8.46 eV View
- 28 -8.25 eV View
- 29 -6.31 eV View
- 30 5.82 eV View
- 31 8.23 eV View
- 32 12.25 eV View
- 33 14.48 eV View
- 34 15.13 eV View
- 35 16.41 eV View
- 36 17.37 eV View
- 37 17.85 eV View
- 38 18.67 eV View
- 39 19.52 eV View
- 40 20.73 eV View
- 41 22.34 eV View
- 42 23.13 eV View
- 43 26.44 eV View
- 44 28.02 eV View
- 45 29.17 eV View