- InChI
- InChI=1S/C21H22Cl2O4/c1-3-21(4-2,19(24)26-13-15-7-5-9-17(22)11-15)20(25)27-14-16-8-6-10-18(23)12-16/h5-12H,3-4,13-14H2,1-2H3
- InChI Key
- ZKFLCRLFEUPHKP-UHFFFAOYSA-N
- Formula
- C21H22Cl2O4
- SMILES
-
CCC(CC)(C(=O)OCc1cccc(Cl)c1)C(
=O)OCc1cccc(Cl)c1 - Molecular Weight1
- 409.30
- 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° | -157.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.66 | Crippen Calculated Property | |
| logPoct/wat | 5.586 | Crippen Calculated Property | |
| McVol | 298.590 | ml/mol | McGowan Calculated Property |
| Pc | 1519.94 | kPa | Joback Calculated Property |
| Inp | 2725.00 | NIST | |
| Tboil | 967.41 | K | Joback Calculated Property |
| Tc | 1205.13 | K | Joback Calculated Property |
| Tfus | 610.89 | K | Joback Calculated Property |
| Vc | 1.131 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [882.94; 936.33] | J/mol×K | [967.41; 1205.13] | 
|
| Cp,gas | 882.94 | J/mol×K | 967.41 | Joback Calculated Property |
| Cp,gas | 894.64 | J/mol×K | 1007.03 | Joback Calculated Property |
| Cp,gas | 905.12 | J/mol×K | 1046.65 | Joback Calculated Property |
| Cp,gas | 914.45 | J/mol×K | 1086.27 | Joback Calculated Property |
| Cp,gas | 922.72 | J/mol×K | 1125.89 | Joback Calculated Property |
| Cp,gas | 929.98 | J/mol×K | 1165.51 | Joback Calculated Property |
| Cp,gas | 936.33 | J/mol×K | 1205.13 | Joback Calculated Property |
| η | [0.0000278; 0.0002398] | Pa×s | [610.89; 967.41] |
|
| η | 0.0002398 | Pa×s | 610.89 | Joback Calculated Property |
| η | 0.0001428 | Pa×s | 670.31 | Joback Calculated Property |
| η | 0.0000926 | Pa×s | 729.73 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 789.15 | Joback Calculated Property |
| η | 0.0000466 | Pa×s | 848.57 | Joback Calculated Property |
| η | 0.0000354 | Pa×s | 907.99 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 967.41 | Joback Calculated Property |
Similar Compounds
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Sources
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