- InChI
- InChI=1S/C16H21ClO4/c1-11(2)10-20-15(18)5-4-6-16(19)21-14-8-7-13(17)9-12(14)3/h7-9,11H,4-6,10H2,1-3H3
- InChI Key
- JBDZGVFTFYVPBA-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
-
Cc1cc(Cl)ccc1OC(=O)CCCC(=O)OCC
(C)C - Molecular Weight1
- 312.79
- 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° | -305.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.923 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Pc | 1750.67 | kPa | Joback Calculated Property |
| Inp | [2235.00; 2235.00] |
|
|
| Inp | 2235.00 | NIST | |
| Inp | 2235.00 | NIST | |
| Tboil | 791.69 | K | Joback Calculated Property |
| Tc | 1000.85 | K | Joback Calculated Property |
| Tfus | 480.78 | K | Joback Calculated Property |
| Vc | 0.914 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.74; 744.24] | J/mol×K | [791.69; 1000.85] |
|
| Cp,gas | 674.74 | J/mol×K | 791.69 | Joback Calculated Property |
| Cp,gas | 688.84 | J/mol×K | 826.55 | Joback Calculated Property |
| Cp,gas | 701.92 | J/mol×K | 861.41 | Joback Calculated Property |
| Cp,gas | 713.99 | J/mol×K | 896.27 | Joback Calculated Property |
| Cp,gas | 725.06 | J/mol×K | 931.13 | Joback Calculated Property |
| Cp,gas | 735.14 | J/mol×K | 965.99 | Joback Calculated Property |
| Cp,gas | 744.24 | J/mol×K | 1000.85 | Joback Calculated Property |
| η | [0.0000767; 0.0006920] | Pa×s | [480.78; 791.69] |
|
| η | 0.0006920 | Pa×s | 480.78 | Joback Calculated Property |
| η | 0.0004012 | Pa×s | 532.60 | Joback Calculated Property |
| η | 0.0002562 | Pa×s | 584.42 | Joback Calculated Property |
| η | 0.0001760 | Pa×s | 636.24 | Joback Calculated Property |
| η | 0.0001280 | Pa×s | 688.05 | Joback Calculated Property |
| η | 0.0000973 | Pa×s | 739.87 | Joback Calculated Property |
| η | 0.0000767 | Pa×s | 791.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isobutyl 2-methyl-4-chlorophenyl ester.
Sources
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