2-methylcyclohexa-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 | 312.02 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 321.94 | 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 | 95.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 128.87 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 120.26 | J mol-1 K-1 |
| Vibrational | 85.96 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 374.87 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -169.76 | kJ mol-1 |
Molecular Orbitals
- 1 -552.28 eV View
- 2 -552.11 eV View
- 3 -303.08 eV View
- 4 -302.99 eV View
- 5 -301.01 eV View
- 6 -300.90 eV View
- 7 -300.79 eV View
- 8 -300.77 eV View
- 9 -300.53 eV View
- 10 -36.58 eV View
- 11 -36.40 eV View
- 12 -29.50 eV View
- 13 -27.72 eV View
- 14 -25.07 eV View
- 15 -23.53 eV View
- 16 -21.24 eV View
- 17 -20.04 eV View
- 18 -17.52 eV View
- 19 -16.87 eV View
- 20 -16.07 eV View
- 21 -15.32 eV View
- 22 -15.00 eV View
- 23 -14.32 eV View
- 24 -14.26 eV View
- 25 -13.77 eV View
- 26 -13.67 eV View
- 27 -13.05 eV View
- 28 -12.51 eV View
- 29 -9.68 eV View
- 30 -9.05 eV View
- 31 -8.90 eV View
- 32 -7.98 eV View
- 33 3.91 eV View
- 34 7.79 eV View
- 35 9.03 eV View
- 36 13.02 eV View
- 37 15.54 eV View
- 38 15.91 eV View
- 39 16.42 eV View
- 40 16.95 eV View
- 41 18.72 eV View
- 42 19.24 eV View
- 43 19.38 eV View
- 44 19.75 eV View
- 45 21.53 eV View
- 46 22.03 eV View
- 47 23.62 eV View
- 48 24.71 eV View
- 49 26.61 eV View
- 50 28.72 eV View
- 51 31.33 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -9.58 | kJ mol-1 |
| Polar Solvation Energy | -20.82 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.24 | kJ mol-1 |
| Surface Area | 120.76 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.77 | Debye |