- InChI
- InChI=1S/C11H12O4/c1-8-4-3-5-10(6-8)15-11(13)7-14-9(2)12/h3-6H,7H2,1-2H3
- InChI Key
- YRYVECQLYXIZKI-UHFFFAOYSA-N
- Formula
- C11H12O4
- SMILES
- CC(=O)OCC(=O)Oc1cccc(C)c1
- Molecular Weight1
- 208.21
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -323.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.33 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.464 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 2871.95 | kPa | Joback Calculated Property |
| Inp | 1487.00 | NIST | |
| Tboil | 635.32 | K | Joback Calculated Property |
| Tc | 850.61 | K | Joback Calculated Property |
| Tfus | 396.99 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [386.89; 451.61] | J/mol×K | [635.32; 850.61] | 
|
| Cp,gas | 386.89 | J/mol×K | 635.32 | Joback Calculated Property |
| Cp,gas | 399.58 | J/mol×K | 671.20 | Joback Calculated Property |
| Cp,gas | 411.51 | J/mol×K | 707.08 | Joback Calculated Property |
| Cp,gas | 422.68 | J/mol×K | 742.97 | Joback Calculated Property |
| Cp,gas | 433.09 | J/mol×K | 778.85 | Joback Calculated Property |
| Cp,gas | 442.73 | J/mol×K | 814.73 | Joback Calculated Property |
| Cp,gas | 451.61 | J/mol×K | 850.61 | Joback Calculated Property |
| η | [0.0001656; 0.0011650] | Pa×s | [396.99; 635.32] |
|
| η | 0.0011650 | Pa×s | 396.99 | Joback Calculated Property |
| η | 0.0007259 | Pa×s | 436.71 | Joback Calculated Property |
| η | 0.0004894 | Pa×s | 476.43 | Joback Calculated Property |
| η | 0.0003506 | Pa×s | 516.15 | Joback Calculated Property |
| η | 0.0002634 | Pa×s | 555.88 | Joback Calculated Property |
| η | 0.0002056 | Pa×s | 595.60 | Joback Calculated Property |
| η | 0.0001656 | Pa×s | 635.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetoxyacetic acid, 3-methylphenyl ester.
Sources
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