Bicyclo[2.1.1]hexane
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 | 388.42 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 398.34 | 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 | 55.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 88.88 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.72 | J mol-1 K-1 |
| Rotational | 107.39 | J mol-1 K-1 |
| Vibrational | 20.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 291.53 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 88.69 | kJ mol-1 |
Molecular Orbitals
- 1 -300.38 eV View
- 2 -300.38 eV View
- 3 -300.28 eV View
- 4 -300.27 eV View
- 5 -300.10 eV View
- 6 -300.10 eV View
- 7 -30.82 eV View
- 8 -25.34 eV View
- 9 -24.24 eV View
- 10 -23.26 eV View
- 11 -19.53 eV View
- 12 -18.99 eV View
- 13 -17.46 eV View
- 14 -15.95 eV View
- 15 -15.90 eV View
- 16 -13.45 eV View
- 17 -13.01 eV View
- 18 -12.36 eV View
- 19 -12.05 eV View
- 20 -11.15 eV View
- 21 -10.73 eV View
- 22 -10.53 eV View
- 23 -10.35 eV View
- 24 15.15 eV View
- 25 15.35 eV View
- 26 15.55 eV View
- 27 15.63 eV View
- 28 16.83 eV View
- 29 17.60 eV View
- 30 17.64 eV View
- 31 19.50 eV View
- 32 19.76 eV View
- 33 19.78 eV View
- 34 20.40 eV View
- 35 20.73 eV View
- 36 20.99 eV View
- 37 21.52 eV View
- 38 22.37 eV View
- 39 23.35 eV View
- 40 24.12 eV View