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 | 397.17 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 407.09 | 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 | 121.41 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 154.67 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.73 | J mol-1 K-1 |
| Rotational | 126.37 | J mol-1 K-1 |
| Vibrational | 127.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 425.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -344.91 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.18 eV View
- 2 -2818.95 eV View
- 3 -551.10 eV View
- 4 -302.90 eV View
- 5 -302.62 eV View
- 6 -302.34 eV View
- 7 -301.44 eV View
- 8 -301.21 eV View
- 9 -280.52 eV View
- 10 -280.24 eV View
- 11 -210.93 eV View
- 12 -210.79 eV View
- 13 -210.78 eV View
- 14 -210.65 eV View
- 15 -210.50 eV View
- 16 -210.50 eV View
- 17 -35.51 eV View
- 18 -30.30 eV View
- 19 -29.07 eV View
- 20 -26.80 eV View
- 21 -25.87 eV View
- 22 -23.81 eV View
- 23 -21.16 eV View
- 24 -20.95 eV View
- 25 -17.96 eV View
- 26 -16.85 eV View
- 27 -16.51 eV View
- 28 -15.87 eV View
- 29 -14.74 eV View
- 30 -14.51 eV View
- 31 -14.18 eV View
- 32 -13.98 eV View
- 33 -13.31 eV View
- 34 -12.46 eV View
- 35 -11.84 eV View
- 36 -11.41 eV View
- 37 -10.10 eV View
- 38 -10.03 eV View
- 39 -9.81 eV View
- 40 -9.59 eV View
- 41 -9.39 eV View
- 42 9.84 eV View
- 43 10.70 eV View
- 44 14.33 eV View
- 45 15.00 eV View
- 46 16.01 eV View
- 47 16.92 eV View
- 48 17.67 eV View
- 49 18.02 eV View
- 50 18.29 eV View
- 51 18.69 eV View
- 52 19.14 eV View
- 53 19.49 eV View
- 54 19.74 eV View
- 55 20.05 eV View
- 56 20.26 eV View
- 57 20.77 eV View
- 58 21.71 eV View