- InChI
- InChI=1S/C13H21Cl3O4/c1-3-4-5-6-10(2)20-12(18)8-7-11(17)19-9-13(14,15)16/h10H,3-9H2,1-2H3
- InChI Key
- KKYWMSYAEHWDHA-UHFFFAOYSA-N
- Formula
- C13H21Cl3O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OCC(Cl)(
Cl)Cl - Molecular Weight1
- 347.66
- 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 | -988.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.77 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.192 | Crippen Calculated Property | |
| McVol | 245.630 | ml/mol | McGowan Calculated Property |
| Inp | [1957.00; 1957.00] |
|
|
| Inp | 1957.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Tboil | 575.45 | K | Relay (1.0) Calculated Property |
| Tc | 768.95 | K | Relay (1.0) Calculated Property |
| Tfus | 301.08 | 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 | [646.89; 713.67] | J/mol×K | [722.10; 916.96] |
|
| Cp,gas | 646.89 | J/mol×K | 722.10 | Joback Calculated Property |
| Cp,gas | 660.26 | J/mol×K | 754.58 | Joback Calculated Property |
| Cp,gas | 672.70 | J/mol×K | 787.05 | Joback Calculated Property |
| Cp,gas | 684.23 | J/mol×K | 819.53 | Joback Calculated Property |
| Cp,gas | 694.89 | J/mol×K | 852.00 | Joback Calculated Property |
| Cp,gas | 704.69 | J/mol×K | 884.48 | Joback Calculated Property |
| Cp,gas | 713.67 | J/mol×K | 916.96 | Joback Calculated Property |
| η | [0.0000577; 0.0019128] | Pa×s | [398.11; 722.10] |
|
| η | 0.0019128 | Pa×s | 398.11 | Joback Calculated Property |
| η | 0.0007533 | Pa×s | 452.11 | Joback Calculated Property |
| η | 0.0003619 | Pa×s | 506.11 | Joback Calculated Property |
| η | 0.0002003 | Pa×s | 560.11 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 614.10 | Joback Calculated Property |
| η | 0.0000817 | Pa×s | 668.10 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 722.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 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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