- InChI
- InChI=1S/C17H23ClO4/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-9-7-13(18)8-10-14/h7-10,12H,5-6,11H2,1-4H3
- InChI Key
- AXRQEFGKYWJMEY-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cc(Cl)cc1 - Molecular Weight1
- 326.81
- 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° | -284.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -688.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.39 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 4.251 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Pc | 1663.26 | kPa | Joback Calculated Property |
| Inp | 1992.00 | NIST | |
| Tboil | 806.36 | K | Joback Calculated Property |
| Tc | 1021.16 | K | Joback Calculated Property |
| Tfus | 481.95 | K | Joback Calculated Property |
| Vc | 0.960 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.48; 805.62] | J/mol×K | [806.36; 1021.16] | 
|
| Cp,gas | 733.48 | J/mol×K | 806.36 | Joback Calculated Property |
| Cp,gas | 748.16 | J/mol×K | 842.16 | Joback Calculated Property |
| Cp,gas | 761.73 | J/mol×K | 877.96 | Joback Calculated Property |
| Cp,gas | 774.22 | J/mol×K | 913.76 | Joback Calculated Property |
| Cp,gas | 785.68 | J/mol×K | 949.56 | Joback Calculated Property |
| Cp,gas | 796.13 | J/mol×K | 985.36 | Joback Calculated Property |
| Cp,gas | 805.62 | J/mol×K | 1021.16 | Joback Calculated Property |
| η | [0.0000531; 0.0006949] | Pa×s | [481.95; 806.36] |
|
| η | 0.0006949 | Pa×s | 481.95 | Joback Calculated Property |
| η | 0.0003647 | Pa×s | 536.02 | Joback Calculated Property |
| η | 0.0002155 | Pa×s | 590.09 | Joback Calculated Property |
| η | 0.0001390 | Pa×s | 644.15 | Joback Calculated Property |
| η | 0.0000960 | Pa×s | 698.22 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 752.29 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 806.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-chlorophenyl isobutyl ester.
Sources
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