- InChI
- InChI=1S/C12H21ClO4/c1-9(2)7-16-11(14)5-4-6-12(15)17-8-10(3)13/h9-10H,4-8H2,1-3H3
- InChI Key
- BOTXGOKCXUWFQN-UHFFFAOYSA-N
- Formula
- C12H21ClO4
- SMILES
- CC(C)COC(=O)CCCC(=O)OCC(C)Cl
- Molecular Weight1
- 264.75
- 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° | -434.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -806.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.23 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.526 | Crippen Calculated Property | |
| McVol | 207.060 | ml/mol | McGowan Calculated Property |
| Pc | 1892.00 | kPa | Joback Calculated Property |
| Inp | [1743.00; 1743.00] |
|
|
| Inp | 1743.00 | NIST | |
| Inp | 1743.00 | NIST | |
| Tboil | 663.09 | K | Joback Calculated Property |
| Tc | 850.51 | K | Joback Calculated Property |
| Tfus | 369.24 | K | Joback Calculated Property |
| Vc | 0.792 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [546.28; 621.37] | J/mol×K | [663.09; 850.51] |
|
| Cp,gas | 546.28 | J/mol×K | 663.09 | Joback Calculated Property |
| Cp,gas | 560.60 | J/mol×K | 694.33 | Joback Calculated Property |
| Cp,gas | 574.19 | J/mol×K | 725.56 | Joback Calculated Property |
| Cp,gas | 587.07 | J/mol×K | 756.80 | Joback Calculated Property |
| Cp,gas | 599.22 | J/mol×K | 788.04 | Joback Calculated Property |
| Cp,gas | 610.65 | J/mol×K | 819.28 | Joback Calculated Property |
| Cp,gas | 621.37 | J/mol×K | 850.51 | Joback Calculated Property |
| η | [0.0001195; 0.0021925] | Pa×s | [369.24; 663.09] |
|
| η | 0.0021925 | Pa×s | 369.24 | Joback Calculated Property |
| η | 0.0010164 | Pa×s | 418.22 | Joback Calculated Property |
| η | 0.0005536 | Pa×s | 467.19 | Joback Calculated Property |
| η | 0.0003384 | Pa×s | 516.16 | Joback Calculated Property |
| η | 0.0002253 | Pa×s | 565.14 | Joback Calculated Property |
| η | 0.0001600 | Pa×s | 614.12 | Joback Calculated Property |
| η | 0.0001195 | Pa×s | 663.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-chloropropyl isobutyl ester.
Sources
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