- InChI
- InChI=1S/C11H12O4/c1-7-5-4-6-10(14-8(2)12)11(7)15-9(3)13/h4-6H,1-3H3
- InChI Key
- WSDQZFOBIKMDJE-UHFFFAOYSA-N
- Formula
- C11H12O4
- SMILES
- CC(=O)Oc1cccc(C)c1OC(C)=O
- 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° | -332.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.99 | kJ/mol | Joback Calculated Property |
| log10WS | -2.57 | Crippen Calculated Property | |
| logPoct/wat | 1.846 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | 1452.50 | NIST | |
| Tboil | 640.30 | K | Joback Calculated Property |
| Tc | 856.49 | K | Joback Calculated Property |
| Tfus | 409.51 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [385.86; 449.88] | J/mol×K | [640.30; 856.49] | 
|
| Cp,gas | 385.86 | J/mol×K | 640.30 | Joback Calculated Property |
| Cp,gas | 398.36 | J/mol×K | 676.33 | Joback Calculated Property |
| Cp,gas | 410.14 | J/mol×K | 712.36 | Joback Calculated Property |
| Cp,gas | 421.20 | J/mol×K | 748.40 | Joback Calculated Property |
| Cp,gas | 431.51 | J/mol×K | 784.43 | Joback Calculated Property |
| Cp,gas | 441.07 | J/mol×K | 820.46 | Joback Calculated Property |
| Cp,gas | 449.88 | J/mol×K | 856.49 | Joback Calculated Property |
| η | [0.0001637; 0.0009633] | Pa×s | [409.51; 640.30] |
|
| η | 0.0009633 | Pa×s | 409.51 | Joback Calculated Property |
| η | 0.0006315 | Pa×s | 447.97 | Joback Calculated Property |
| η | 0.0004426 | Pa×s | 486.44 | Joback Calculated Property |
| η | 0.0003268 | Pa×s | 524.90 | Joback Calculated Property |
| η | 0.0002515 | Pa×s | 563.37 | Joback Calculated Property |
| η | 0.0002001 | Pa×s | 601.84 | Joback Calculated Property |
| η | 0.0001637 | Pa×s | 640.30 | Joback Calculated Property |
Similar Compounds
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Sources
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