- InChI
- InChI=1S/C13H15ClO4/c1-2-17-12(15)6-7-13(16)18-9-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3
- InChI Key
- CLWGWBXPCUWFGP-UHFFFAOYSA-N
- Formula
- C13H15ClO4
- SMILES
- CCOC(=O)CCC(=O)OCc1cccc(Cl)c1
- Molecular Weight1
- 270.71
- 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° | -318.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.17 | kJ/mol | Joback Calculated Property |
| log10WS | -3.27 | Crippen Calculated Property | |
| logPoct/wat | 2.726 | Crippen Calculated Property | |
| McVol | 197.390 | ml/mol | McGowan Calculated Property |
| Pc | 2278.41 | kPa | Joback Calculated Property |
| Inp | [1930.00; 1930.00] |
|
|
| Inp | 1930.00 | NIST | |
| Inp | 1930.00 | NIST | |
| Tboil | 718.51 | K | Joback Calculated Property |
| Tc | 930.52 | K | Joback Calculated Property |
| Tfus | 449.45 | K | Joback Calculated Property |
| Vc | 0.752 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [513.07; 577.36] | J/mol×K | [718.51; 930.52] |
|
| Cp,gas | 513.07 | J/mol×K | 718.51 | Joback Calculated Property |
| Cp,gas | 525.96 | J/mol×K | 753.85 | Joback Calculated Property |
| Cp,gas | 537.96 | J/mol×K | 789.18 | Joback Calculated Property |
| Cp,gas | 549.10 | J/mol×K | 824.52 | Joback Calculated Property |
| Cp,gas | 559.38 | J/mol×K | 859.85 | Joback Calculated Property |
| Cp,gas | 568.79 | J/mol×K | 895.19 | Joback Calculated Property |
| Cp,gas | 577.36 | J/mol×K | 930.52 | Joback Calculated Property |
| η | [0.0001220; 0.0009197] | Pa×s | [449.45; 718.51] |
|
| η | 0.0009197 | Pa×s | 449.45 | Joback Calculated Property |
| η | 0.0005638 | Pa×s | 494.29 | Joback Calculated Property |
| η | 0.0003749 | Pa×s | 539.14 | Joback Calculated Property |
| η | 0.0002654 | Pa×s | 583.98 | Joback Calculated Property |
| η | 0.0001974 | Pa×s | 628.82 | Joback Calculated Property |
| η | 0.0001527 | Pa×s | 673.67 | Joback Calculated Property |
| η | 0.0001220 | Pa×s | 718.51 | Joback Calculated Property |
Similar Compounds
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Sources
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