- InChI
- InChI=1S/C20H28Cl2O4/c1-14(2)9-15(3)26-20(24)8-6-4-5-7-19(23)25-13-16-10-17(21)12-18(22)11-16/h10-12,14-15H,4-9,13H2,1-3H3
- InChI Key
- OPJIYCVNEVAADW-UHFFFAOYSA-N
- Formula
- C20H28Cl2O4
- SMILES
-
CC(C)CC(C)OC(=O)CCCCCC(=O)OCc1
cc(Cl)cc(Cl)c1 - Molecular Weight1
- 403.34
- 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° | -285.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -774.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.02 | kJ/mol | Joback Calculated Property |
| log10WS | -6.76 | Crippen Calculated Property | |
| logPoct/wat | 5.965 | Crippen Calculated Property | |
| McVol | 308.260 | ml/mol | McGowan Calculated Property |
| Pc | 1272.78 | kPa | Joback Calculated Property |
| Inp | [2596.00; 2596.00] |
|
|
| Inp | 2596.00 | NIST | |
| Inp | 2596.00 | NIST | |
| Tboil | 920.20 | K | Joback Calculated Property |
| Tc | 1134.82 | K | Joback Calculated Property |
| Tfus | 540.78 | K | Joback Calculated Property |
| Vc | 1.181 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [930.10; 994.79] | J/mol×K | [920.20; 1134.82] |
|
| Cp,gas | 930.10 | J/mol×K | 920.20 | Joback Calculated Property |
| Cp,gas | 943.91 | J/mol×K | 955.97 | Joback Calculated Property |
| Cp,gas | 956.47 | J/mol×K | 991.74 | Joback Calculated Property |
| Cp,gas | 967.81 | J/mol×K | 1027.51 | Joback Calculated Property |
| Cp,gas | 977.96 | J/mol×K | 1063.28 | Joback Calculated Property |
| Cp,gas | 986.95 | J/mol×K | 1099.05 | Joback Calculated Property |
| Cp,gas | 994.79 | J/mol×K | 1134.82 | Joback Calculated Property |
| η | [0.0000342; 0.0004163] | Pa×s | [540.78; 920.20] |
|
| η | 0.0004163 | Pa×s | 540.78 | Joback Calculated Property |
| η | 0.0002207 | Pa×s | 604.02 | Joback Calculated Property |
| η | 0.0001319 | Pa×s | 667.25 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 730.49 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 793.73 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 856.96 | Joback Calculated Property |
| η | 0.0000342 | Pa×s | 920.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,5-dichlorobenzyl 4-methyl-2-pentyl ester.
Sources
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