- InChI
- InChI=1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
- InChI Key
- MYKLQMNSFPAPLZ-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- CC1=CC(=O)C(C)=CC1=O
- Molecular Weight1
- 136.15
- CAS
- 137-18-8
- Other Names
-
- p-Benzoquinone, 2,5-dimethyl-
- p-Xyloquinone
- Phlorone
- 2,5-Dimethyl-p-benzoquinone
- 2,5-Dimethyl-1,4-benzoquinone
- 2,5-Dimethylquinone
- 2,5-Xyloquinone
- 3,6-Dimethyl-p-benzoquinone
- Benzoquinone, 2, 5-dimethyl-
- 2,5-Dimethyl-1,4-benzochinon
- 2,5-Dimetilbenzochinone (1:4)
- Floron
- Florone
- 2,5-Dimethyl-2,5-Cyclohexadiene-1,4-dione
- 2,5-Dimethyl-p-quinone
- NSC 15309
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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.
- 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 ± 0.06 | 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 |
| ΔsubH° | 76.99 | kJ/mol | NIST |
| ΔvapH° | 44.54 | kJ/mol | Joback Calculated Property |
| IE | [9.58; 9.60] | eV |
|
| IE | 9.58 | eV | NIST |
| IE | 9.60 ± 0.05 | eV | NIST |
| 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 | [1129.00; 1129.00] |
|
|
| Inp | 1129.00 | NIST | |
| Inp | 1129.00 | 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 |
| ΔsubH | 77.00 | kJ/mol | 283.00 | NIST |
Similar Compounds
Find more compounds similar to 2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl-.
Sources
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