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 | 499.34 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 509.26 | 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 | 105.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 138.83 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.39 | J mol-1 K-1 |
| Rotational | 118.88 | J mol-1 K-1 |
| Vibrational | 44.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 333.89 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 101.03 | kJ mol-1 |
Molecular Orbitals
- 1 -416.99 eV View
- 2 -416.99 eV View
- 3 -416.99 eV View
- 4 -416.99 eV View
- 5 -302.29 eV View
- 6 -302.29 eV View
- 7 -302.29 eV View
- 8 -302.29 eV View
- 9 -302.29 eV View
- 10 -302.28 eV View
- 11 -34.46 eV View
- 12 -30.60 eV View
- 13 -30.60 eV View
- 14 -30.60 eV View
- 15 -24.53 eV View
- 16 -24.53 eV View
- 17 -22.28 eV View
- 18 -22.28 eV View
- 19 -22.28 eV View
- 20 -19.79 eV View
- 21 -16.91 eV View
- 22 -16.91 eV View
- 23 -16.91 eV View
- 24 -15.43 eV View
- 25 -15.43 eV View
- 26 -15.43 eV View
- 27 -13.39 eV View
- 28 -13.39 eV View
- 29 -13.39 eV View
- 30 -12.94 eV View
- 31 -12.94 eV View
- 32 -12.60 eV View
- 33 -12.52 eV View
- 34 -12.52 eV View
- 35 -12.52 eV View
- 36 -7.47 eV View
- 37 -7.47 eV View
- 38 -7.47 eV View
- 39 14.02 eV View
- 40 14.02 eV View
- 41 14.02 eV View
- 42 15.79 eV View
- 43 15.79 eV View
- 44 15.79 eV View
- 45 16.53 eV View
- 46 16.53 eV View
- 47 17.13 eV View
- 48 17.13 eV View
- 49 17.13 eV View
- 50 17.14 eV View
- 51 18.11 eV View
- 52 18.74 eV View
- 53 18.74 eV View
- 54 18.74 eV View
- 55 19.98 eV View
- 56 19.98 eV View
- 57 20.62 eV View
- 58 20.62 eV View
- 59 20.62 eV View
- 60 21.00 eV View
- 61 21.00 eV View
- 62 21.00 eV View