- InChI
- InChI=1S/C12H19Cl3O4/c1-9(2)4-3-7-18-10(16)5-6-11(17)19-8-12(13,14)15/h9H,3-8H2,1-2H3
- InChI Key
- ZFKJXSGRVYKTJB-UHFFFAOYSA-N
- Formula
- C12H19Cl3O4
- SMILES
-
CC(C)CCCOC(=O)CCC(=O)OCC(Cl)(C
l)Cl - Molecular Weight1
- 333.64
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -968.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.23 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.659 | Crippen Calculated Property | |
| McVol | 231.540 | ml/mol | McGowan Calculated Property |
| Inp | [1912.00; 1912.00] |
|
|
| Inp | 1912.00 | NIST | |
| Inp | 1912.00 | NIST | |
| Tboil | 577.30 | K | Relay (1.0) Calculated Property |
| Tc | 765.41 | K | Relay (1.0) Calculated Property |
| Tfus | 311.60 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.91; 658.79] | J/mol×K | [699.22; 895.67] |
|
| Cp,gas | 593.91 | J/mol×K | 699.22 | Joback Calculated Property |
| Cp,gas | 606.90 | J/mol×K | 731.96 | Joback Calculated Property |
| Cp,gas | 618.99 | J/mol×K | 764.70 | Joback Calculated Property |
| Cp,gas | 630.20 | J/mol×K | 797.44 | Joback Calculated Property |
| Cp,gas | 640.55 | J/mol×K | 830.19 | Joback Calculated Property |
| Cp,gas | 650.07 | J/mol×K | 862.93 | Joback Calculated Property |
| Cp,gas | 658.79 | J/mol×K | 895.67 | Joback Calculated Property |
| η | [0.0000680; 0.0022040] | Pa×s | [386.84; 699.22] |
|
| η | 0.0022040 | Pa×s | 386.84 | Joback Calculated Property |
| η | 0.0008752 | Pa×s | 438.90 | Joback Calculated Property |
| η | 0.0004227 | Pa×s | 490.97 | Joback Calculated Property |
| η | 0.0002347 | Pa×s | 543.03 | Joback Calculated Property |
| η | 0.0001445 | Pa×s | 595.09 | Joback Calculated Property |
| η | 0.0000962 | Pa×s | 647.16 | Joback Calculated Property |
| η | 0.0000680 | Pa×s | 699.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, isohexyl 2,2,2-trichloroethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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