- InChI
- InChI=1S/C7H6O2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3
- InChI Key
- GYEMOVUSSDZYLQ-UHFFFAOYSA-N
- Formula
- C7H6O2
- SMILES
- CC1=CC(=O)C(=O)C=C1
- Molecular Weight1
- 122.12
- CAS
- 4847-64-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -154.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.65 | kJ/mol | Joback Calculated Property |
| log10WS | -0.92 | Crippen Calculated Property | |
| logPoct/wat | 0.641 | Crippen Calculated Property | |
| McVol | 93.170 | ml/mol | McGowan Calculated Property |
| Pc | 4299.92 | kPa | Joback Calculated Property |
| I | [1842.00; 1842.00] |
|
|
| I | 1842.00 | NIST | |
| I | 1842.00 | NIST | |
| Tboil | 522.72 | K | Joback Calculated Property |
| Tc | 771.09 | K | Joback Calculated Property |
| Tfus | 330.75 | K | Joback Calculated Property |
| Vc | 0.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.24; 257.20] | J/mol×K | [522.72; 771.09] |
|
| Cp,gas | 194.24 | J/mol×K | 522.72 | Joback Calculated Property |
| Cp,gas | 206.10 | J/mol×K | 564.11 | Joback Calculated Property |
| Cp,gas | 217.49 | J/mol×K | 605.51 | Joback Calculated Property |
| Cp,gas | 228.34 | J/mol×K | 646.90 | Joback Calculated Property |
| Cp,gas | 238.62 | J/mol×K | 688.30 | Joback Calculated Property |
| Cp,gas | 248.26 | J/mol×K | 729.69 | Joback Calculated Property |
| Cp,gas | 257.20 | J/mol×K | 771.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-methyl-1,2-benzoquinone.
Sources
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