- InChI
- InChI=1S/C7H6O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
- InChI Key
- ZJKWJHONFFKJHG-UHFFFAOYSA-N
- Formula
- C7H6O3
- SMILES
- COC1=CC(=O)C=CC1=O
- Molecular Weight1
- 138.12
- CAS
- 2880-58-2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -259.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.06 | kJ/mol | Joback Calculated Property |
| log10WS | -0.50 | Crippen Calculated Property | |
| logPoct/wat | 0.225 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 4205.63 | kPa | Joback Calculated Property |
| Inp | [1220.00; 1240.00] |
|
|
| Inp | 1220.00 | NIST | |
| Inp | 1228.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1220.00 | NIST | |
| Tboil | 545.14 | K | Joback Calculated Property |
| Tc | 789.90 | K | Joback Calculated Property |
| Tfus | 352.98 | K | Joback Calculated Property |
| Vc | 0.365 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.88; 278.84] | J/mol×K | [545.14; 789.90] |
|
| Cp,gas | 215.88 | J/mol×K | 545.14 | Joback Calculated Property |
| Cp,gas | 227.72 | J/mol×K | 585.93 | Joback Calculated Property |
| Cp,gas | 239.12 | J/mol×K | 626.73 | Joback Calculated Property |
| Cp,gas | 250.01 | J/mol×K | 667.52 | Joback Calculated Property |
| Cp,gas | 260.31 | J/mol×K | 708.31 | Joback Calculated Property |
| Cp,gas | 269.95 | J/mol×K | 749.10 | Joback Calculated Property |
| Cp,gas | 278.84 | J/mol×K | 789.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Benzoquinone, methoxy.
Sources
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