- InChI
- InChI=1S/C8H8O4/c1-11-6-3-5(9)4-7(12-2)8(6)10/h3-4H,1-2H3
- InChI Key
- OLBNOBQOQZRLMP-UHFFFAOYSA-N
- Formula
- C8H8O4
- SMILES
- COC1=CC(=O)C=C(OC)C1=O
- Molecular Weight1
- 168.15
- CAS
- 530-55-2
- Other Names
-
- 2,6-Dimethoxy-p-benzoquinone
- 2,6-Dimethoxy-1,4-benzoquinone
- 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethoxy-
- p-Benzoquinone, 2,6-dimethoxy-
- 2,6-Dimethoxy-p-quinone
- 2,6-Dimethoxyquinone
- 56336
- 2,6-Dimethoxybenzo-1,4-quinone
- 2,6-Dimethoxy-2,5-cyclohexadiene-1,4-dione
- 3,5-Dimethoxy-1,4-benzoquinone
- NSC 24500
- Quinone, 2,6-dimethoxy-
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5314 | Relay (1.0) Calculated Property | |
| EA | 1.72 ± 0.06 | eV | NIST |
| ΔfG° | -365.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -456.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.199 | Crippen Calculated Property | |
| McVol | 119.000 | ml/mol | McGowan Calculated Property |
| Pc | 3585.64 | kPa | Joback Calculated Property |
| Inp | [1506.00; 1530.00] |
|
|
| Inp | 1506.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Tboil | 549.94 | K | Relay (1.0) Calculated Property |
| Tc | 723.14 | K | Relay (1.0) Calculated Property |
| Tfus | 397.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.418 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.34; 349.70] | J/mol×K | [595.42; 832.63] |
|
| Cp,gas | 282.34 | J/mol×K | 595.42 | Joback Calculated Property |
| Cp,gas | 295.17 | J/mol×K | 634.95 | Joback Calculated Property |
| Cp,gas | 307.48 | J/mol×K | 674.49 | Joback Calculated Property |
| Cp,gas | 319.18 | J/mol×K | 714.02 | Joback Calculated Property |
| Cp,gas | 330.18 | J/mol×K | 753.56 | Joback Calculated Property |
| Cp,gas | 340.39 | J/mol×K | 793.09 | Joback Calculated Property |
| Cp,gas | 349.70 | J/mol×K | 832.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethoxybenzoquinone.
Sources
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