- InChI
- InChI=1S/C13H16O4/c1-13(2,3)8-17-12(16)10-7-5-4-6-9(10)11(14)15/h4-7H,8H2,1-3H3,(H,14,15)
- InChI Key
- FSEWDIPTRJFLRS-UHFFFAOYSA-N
- Formula
- C13H16O4
- SMILES
- CC(C)(C)COC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 236.26
- CAS
- 83646-70-2
- 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° | -335.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -604.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.21 | Crippen Calculated Property | |
| logPoct/wat | 2.588 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2684.64 | kPa | Joback Calculated Property |
| Inp | [1809.00; 1809.00] |
|
|
| Inp | 1809.00 | NIST | |
| Inp | 1809.00 | NIST | |
| Tboil | 747.61 | K | Joback Calculated Property |
| Tc | 955.90 | K | Joback Calculated Property |
| Tfus | 460.54 | K | Joback Calculated Property |
| Vc | 0.694 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.46; 575.94] | J/mol×K | [747.61; 955.90] |
|
| Cp,gas | 517.46 | J/mol×K | 747.61 | Joback Calculated Property |
| Cp,gas | 529.15 | J/mol×K | 782.33 | Joback Calculated Property |
| Cp,gas | 540.00 | J/mol×K | 817.04 | Joback Calculated Property |
| Cp,gas | 550.07 | J/mol×K | 851.76 | Joback Calculated Property |
| Cp,gas | 559.39 | J/mol×K | 886.47 | Joback Calculated Property |
| Cp,gas | 568.01 | J/mol×K | 921.19 | Joback Calculated Property |
| Cp,gas | 575.94 | J/mol×K | 955.90 | Joback Calculated Property |
| η | [0.0000292; 0.0008855] | Pa×s | [460.54; 747.61] |
|
| η | 0.0008855 | Pa×s | 460.54 | Joback Calculated Property |
| η | 0.0003838 | Pa×s | 508.38 | Joback Calculated Property |
| η | 0.0001921 | Pa×s | 556.23 | Joback Calculated Property |
| η | 0.0001073 | Pa×s | 604.08 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 651.92 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 699.76 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 747.61 | Joback Calculated Property |
Similar Compounds
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Sources
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