- InChI
- InChI=1S/C18H23Cl3O4/c1-3-4-5-7-12(2)24-16(22)8-6-9-17(23)25-15-11-13(19)10-14(20)18(15)21/h10-12H,3-9H2,1-2H3
- InChI Key
- OCUYYTHHXRTWJI-UHFFFAOYSA-N
- Formula
- C18H23Cl3O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1cc(C
l)cc(Cl)c1Cl - Molecular Weight1
- 409.73
- 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 | -879.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.82 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.234 | Crippen Calculated Property | |
| McVol | 292.320 | ml/mol | McGowan Calculated Property |
| Inp | [2636.00; 2636.00] |
|
|
| Inp | 2636.00 | NIST | |
| Inp | 2636.00 | NIST | |
| Tboil | 639.98 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.30; 861.89] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.33270e+01 | |||
| Coefficient B | 1.37314e+00 | |||
| Coefficient C | -6.60680e-04 | |||
| Coefficient D | 6.61000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 410.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 489.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 560.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 624.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 681.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 730.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 773.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 809.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 838.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 861.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004404; 0.0000578] | Pa×s | [516.02; 765.51] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.39605e+01 | |||
| Coefficient B | 3.21618e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 516.02 | |||
| Temperature range, max. | 765.51 | |||
| η | 0.0004404 | Pa×s | 516.02 | Calculated Property |
| η | 0.0003205 | Pa×s | 543.74 | Calculated Property |
| η | 0.0002406 | Pa×s | 571.46 | Calculated Property |
| η | 0.0001854 | Pa×s | 599.18 | Calculated Property |
| η | 0.0001462 | Pa×s | 626.90 | Calculated Property |
| η | 0.0001177 | Pa×s | 654.63 | Calculated Property |
| η | 0.0000964 | Pa×s | 682.35 | Calculated Property |
| η | 0.0000802 | Pa×s | 710.07 | Calculated Property |
| η | 0.0000676 | Pa×s | 737.79 | Calculated Property |
| η | 0.0000578 | Pa×s | 765.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2,3,5-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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