Cyclohexa-1,3-dien-5-yne
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 | 202.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 212.67 | 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 | 42.82 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 76.08 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.76 | J mol-1 K-1 |
| Rotational | 106.00 | J mol-1 K-1 |
| Vibrational | 18.18 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 286.94 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 542.93 | kJ mol-1 |
Molecular Orbitals
- 1 -300.98 eV View
- 2 -300.98 eV View
- 3 -300.38 eV View
- 4 -300.37 eV View
- 5 -299.34 eV View
- 6 -299.29 eV View
- 7 -30.09 eV View
- 8 -26.24 eV View
- 9 -25.59 eV View
- 10 -21.16 eV View
- 11 -19.78 eV View
- 12 -17.23 eV View
- 13 -15.95 eV View
- 14 -15.11 eV View
- 15 -13.29 eV View
- 16 -13.02 eV View
- 17 -12.89 eV View
- 18 -7.93 eV View
- 19 -7.88 eV View
- 20 -7.81 eV View
- 21 5.46 eV View
- 22 6.64 eV View
- 23 8.20 eV View
- 24 14.57 eV View
- 25 16.17 eV View
- 26 17.55 eV View
- 27 19.13 eV View
- 28 19.38 eV View
- 29 22.28 eV View
- 30 22.85 eV View
- 31 24.43 eV View
- 32 25.85 eV View
- 33 31.32 eV View
- 34 34.18 eV View