Cyclohexa-2,5-diene-1,4-dione
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 | 234.28 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 244.20 | 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 | 71.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 104.43 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.14 | J mol-1 K-1 |
| Rotational | 116.22 | J mol-1 K-1 |
| Vibrational | 55.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 339.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -131.86 | kJ mol-1 |
Molecular Orbitals
- 1 -552.31 eV View
- 2 -552.31 eV View
- 3 -303.15 eV View
- 4 -303.15 eV View
- 5 -300.88 eV View
- 6 -300.88 eV View
- 7 -300.86 eV View
- 8 -300.86 eV View
- 9 -36.60 eV View
- 10 -36.53 eV View
- 11 -29.38 eV View
- 12 -27.18 eV View
- 13 -23.97 eV View
- 14 -21.65 eV View
- 15 -20.53 eV View
- 16 -17.34 eV View
- 17 -17.09 eV View
- 18 -16.36 eV View
- 19 -15.52 eV View
- 20 -14.39 eV View
- 21 -14.30 eV View
- 22 -13.90 eV View
- 23 -13.52 eV View
- 24 -12.63 eV View
- 25 -9.80 eV View
- 26 -9.39 eV View
- 27 -9.02 eV View
- 28 -8.17 eV View
- 29 3.81 eV View
- 30 7.72 eV View
- 31 9.00 eV View
- 32 13.14 eV View
- 33 15.79 eV View
- 34 15.85 eV View
- 35 16.20 eV View
- 36 16.79 eV View
- 37 19.19 eV View
- 38 21.32 eV View
- 39 21.57 eV View
- 40 23.39 eV View
- 41 24.27 eV View
- 42 26.48 eV View
- 43 28.29 eV View
- 44 31.25 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
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| Translucent Molecule |
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| Property | Value | Unit |
| Total Solvation Energy | -12.10 | kJ mol-1 |
| Polar Solvation Energy | -21.52 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.45 | kJ mol-1 |
| Surface Area | 106.13 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |