Cyclohexatriene
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 | 226.39 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 236.31 | 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 | 50.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 83.59 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.93 | J mol-1 K-1 |
| Rotational | 106.70 | J mol-1 K-1 |
| Vibrational | 22.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 292.56 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1207.03 | kJ mol-1 |
Molecular Orbitals
- 1 -311.34 eV View
- 2 -308.63 eV View
- 3 -308.63 eV View
- 4 -307.66 eV View
- 5 -307.65 eV View
- 6 -307.04 eV View
- 7 -37.85 eV View
- 8 -33.86 eV View
- 9 -32.79 eV View
- 10 -28.17 eV View
- 11 -26.96 eV View
- 12 -24.44 eV View
- 13 -23.25 eV View
- 14 -22.08 eV View
- 15 -21.38 eV View
- 16 -20.52 eV View
- 17 -19.37 eV View
- 18 -19.17 eV View
- 19 -15.10 eV View
- 20 -14.64 eV View
- 21 -3.51 eV View
- 22 -0.21 eV View
- 23 0.22 eV View
- 24 6.37 eV View
- 25 8.81 eV View
- 26 10.32 eV View
- 27 10.60 eV View
- 28 12.31 eV View
- 29 13.15 eV View
- 30 15.04 eV View
- 31 15.68 eV View
- 32 16.54 eV View
- 33 19.66 eV View
- 34 22.56 eV View
- 35 23.34 eV View