- InChI
- InChI=1S/C11H11ClO4/c1-8(13)15-7-11(14)16-6-9-2-4-10(12)5-3-9/h2-5H,6-7H2,1H3
- InChI Key
- IUAPHMNPPYPAAC-UHFFFAOYSA-N
- Formula
- C11H11ClO4
- SMILES
- CC(=O)OCC(=O)OCc1ccc(Cl)cc1
- Molecular Weight1
- 242.66
- 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° | -335.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.72 | kJ/mol | Joback Calculated Property |
| log10WS | -2.44 | Crippen Calculated Property | |
| logPoct/wat | 1.946 | Crippen Calculated Property | |
| McVol | 169.210 | ml/mol | McGowan Calculated Property |
| Pc | 2761.36 | kPa | Joback Calculated Property |
| Inp | 1663.00 | NIST | |
| Tboil | 672.75 | K | Joback Calculated Property |
| Tc | 891.35 | K | Joback Calculated Property |
| Tfus | 426.91 | K | Joback Calculated Property |
| Vc | 0.640 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.07; 469.86] | J/mol×K | [672.75; 891.35] | 
|
| Cp,gas | 411.07 | J/mol×K | 672.75 | Joback Calculated Property |
| Cp,gas | 422.83 | J/mol×K | 709.18 | Joback Calculated Property |
| Cp,gas | 433.81 | J/mol×K | 745.62 | Joback Calculated Property |
| Cp,gas | 444.00 | J/mol×K | 782.05 | Joback Calculated Property |
| Cp,gas | 453.40 | J/mol×K | 818.48 | Joback Calculated Property |
| Cp,gas | 462.02 | J/mol×K | 854.92 | Joback Calculated Property |
| Cp,gas | 469.86 | J/mol×K | 891.35 | Joback Calculated Property |
| η | [0.0001548; 0.0010498] | Pa×s | [426.91; 672.75] |
|
| η | 0.0010498 | Pa×s | 426.91 | Joback Calculated Property |
| η | 0.0006636 | Pa×s | 467.88 | Joback Calculated Property |
| η | 0.0004516 | Pa×s | 508.86 | Joback Calculated Property |
| η | 0.0003255 | Pa×s | 549.83 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 590.80 | Joback Calculated Property |
| η | 0.0001921 | Pa×s | 631.78 | Joback Calculated Property |
| η | 0.0001548 | Pa×s | 672.75 | Joback Calculated Property |
Similar Compounds
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Sources
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