- InChI
- InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
- InChI Key
- SENUUPBBLQWHMF-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- CC1=CC(=O)C=C(C)C1=O
- Molecular Weight1
- 136.15
- CAS
- 527-61-7
- Other Names
-
- p-Benzoquinone, 2,6-dimethyl-
- m-Xyloquinone
- 2,6-Dimethyl-p-benzoquinone
- 2,6-Dimethyl-1,4-benzoquinone
- 2,6-Dimethyl-1,4-quinone
- 2,6-Dimethylbenzoquinone
- 2,6-Dimethylquinone
- 2,6-Xyloquinone
- 2,6-Dimethylbenzo-1,4-quinone
- 2,6-Dimethyl-2,5-cyclohexadien-1,4-dione
- 3,5-Dimethylbenzoquinone
- NSC 17549
- 2,6-Dimethyl-2,5-cycloxehadien-1,4-dione
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| EA | [1.76; 1.76] | eV |
|
| EA | 1.76 ± 0.06 | eV | NIST |
| EA | 1.76 ± 0.05 | eV | NIST |
| ΔfG° | -155.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.54 | kJ/mol | Joback Calculated Property |
| log10WS | -1.33 | Crippen Calculated Property | |
| logPoct/wat | 1.031 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 3736.23 | kPa | Joback Calculated Property |
| Inp | [1113.00; 1130.00] |
|
|
| Inp | 1113.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1125.00 | NIST | |
| Inp | 1130.00 | NIST | |
| I | [1681.00; 1711.00] |
|
|
| I | 1681.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1695.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1711.00 | NIST | |
| I | 1711.00 | NIST | |
| I | 1711.00 | NIST | |
| Tboil | 550.58 | K | Joback Calculated Property |
| Tc | 795.00 | K | Joback Calculated Property |
| Tfus | 354.54 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.88; 305.11] | J/mol×K | [550.58; 795.00] |
|
| Cp,gas | 236.88 | J/mol×K | 550.58 | Joback Calculated Property |
| Cp,gas | 249.76 | J/mol×K | 591.32 | Joback Calculated Property |
| Cp,gas | 262.12 | J/mol×K | 632.05 | Joback Calculated Property |
| Cp,gas | 273.89 | J/mol×K | 672.79 | Joback Calculated Property |
| Cp,gas | 285.02 | J/mol×K | 713.53 | Joback Calculated Property |
| Cp,gas | 295.44 | J/mol×K | 754.27 | Joback Calculated Property |
| Cp,gas | 305.11 | J/mol×K | 795.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl-.
Sources
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