- InChI
- InChI=1S/C17H21Cl3O4/c1-3-4-5-6-11(2)23-16(21)7-8-17(22)24-15-10-13(19)12(18)9-14(15)20/h9-11H,3-8H2,1-2H3
- InChI Key
- ZCBGUIRCQNPJES-UHFFFAOYSA-N
- Formula
- C17H21Cl3O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)Oc1cc(Cl
)c(Cl)cc1Cl - Molecular Weight1
- 395.71
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -863.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.62 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.844 | Crippen Calculated Property | |
| McVol | 278.230 | ml/mol | McGowan Calculated Property |
| Inp | [2487.00; 2487.00] |
|
|
| Inp | 2487.00 | NIST | |
| Inp | 2487.00 | NIST | |
| Tboil | 614.85 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, 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 | [777.49; 832.48] | J/mol×K | [894.41; 1111.41] |
|
| Cp,gas | 777.49 | J/mol×K | 894.41 | Joback Calculated Property |
| Cp,gas | 789.38 | J/mol×K | 930.58 | Joback Calculated Property |
| Cp,gas | 800.17 | J/mol×K | 966.74 | Joback Calculated Property |
| Cp,gas | 809.86 | J/mol×K | 1002.91 | Joback Calculated Property |
| Cp,gas | 818.46 | J/mol×K | 1039.08 | Joback Calculated Property |
| Cp,gas | 826.00 | J/mol×K | 1075.25 | Joback Calculated Property |
| Cp,gas | 832.48 | J/mol×K | 1111.41 | Joback Calculated Property |
| η | [0.0000505; 0.0003779] | Pa×s | [564.41; 894.41] |
|
| η | 0.0003779 | Pa×s | 564.41 | Joback Calculated Property |
| η | 0.0002328 | Pa×s | 619.41 | Joback Calculated Property |
| η | 0.0001552 | Pa×s | 674.41 | Joback Calculated Property |
| η | 0.0001100 | Pa×s | 729.41 | Joback Calculated Property |
| η | 0.0000818 | Pa×s | 784.41 | Joback Calculated Property |
| η | 0.0000633 | Pa×s | 839.41 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 894.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 2,4,5-trichlorophenyl 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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