- InChI
- InChI=1S/C17H21Cl3O4/c1-3-4-6-11(2)23-15(21)7-5-8-16(22)24-17-13(19)9-12(18)10-14(17)20/h9-11H,3-8H2,1-2H3
- InChI Key
- NRXPYGLBIMZDMQ-UHFFFAOYSA-N
- Formula
- C17H21Cl3O4
- SMILES
-
CCCCC(C)OC(=O)CCCC(=O)Oc1c(Cl)
cc(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 | -841.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.27 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.844 | Crippen Calculated Property | |
| McVol | 278.230 | ml/mol | McGowan Calculated Property |
| Inp | [2498.00; 2498.00] |
|
|
| Inp | 2498.00 | NIST | |
| Inp | 2498.00 | NIST | |
| Tboil | 610.97 | 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 | [768.96; 824.26] | J/mol×K | [858.47; 1070.91] |
|
| Cp,gas | 768.96 | J/mol×K | 858.47 | Joback Calculated Property |
| Cp,gas | 781.02 | J/mol×K | 893.88 | Joback Calculated Property |
| Cp,gas | 791.92 | J/mol×K | 929.28 | Joback Calculated Property |
| Cp,gas | 801.68 | J/mol×K | 964.69 | Joback Calculated Property |
| Cp,gas | 810.32 | J/mol×K | 1000.10 | Joback Calculated Property |
| Cp,gas | 817.84 | J/mol×K | 1035.50 | Joback Calculated Property |
| Cp,gas | 824.26 | J/mol×K | 1070.91 | Joback Calculated Property |
| η | [0.0000387; 0.0004950] | Pa×s | [504.75; 858.47] |
|
| η | 0.0004950 | Pa×s | 504.75 | Joback Calculated Property |
| η | 0.0002592 | Pa×s | 563.70 | Joback Calculated Property |
| η | 0.0001534 | Pa×s | 622.66 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 681.61 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 740.56 | Joback Calculated Property |
| η | 0.0000506 | Pa×s | 799.52 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 858.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,4,6-trichlorophenyl 2-hexyl 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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