- InChI
- InChI=1S/C19H27ClO4/c1-3-4-5-7-15(2)24-19(22)9-6-8-18(21)23-14-16-10-12-17(20)13-11-16/h10-13,15H,3-9,14H2,1-2H3
- InChI Key
- ASHXZMQJXRAYIL-UHFFFAOYSA-N
- Formula
- C19H27ClO4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OCc1ccc
(Cl)cc1 - Molecular Weight1
- 354.87
- 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 | -847.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.72 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.066 | Crippen Calculated Property | |
| McVol | 281.930 | ml/mol | McGowan Calculated Property |
| Inp | [2468.00; 2468.00] |
|
|
| Inp | 2468.00 | NIST | |
| Inp | 2468.00 | NIST | |
| Tboil | 638.12 | 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 | [835.06; 908.76] | J/mol×K | [819.41; 1020.77] |
|
| Cp,gas | 835.06 | J/mol×K | 819.41 | Joback Calculated Property |
| Cp,gas | 850.23 | J/mol×K | 852.97 | Joback Calculated Property |
| Cp,gas | 864.21 | J/mol×K | 886.53 | Joback Calculated Property |
| Cp,gas | 877.03 | J/mol×K | 920.09 | Joback Calculated Property |
| Cp,gas | 888.71 | J/mol×K | 953.65 | Joback Calculated Property |
| Cp,gas | 899.28 | J/mol×K | 987.21 | Joback Calculated Property |
| Cp,gas | 908.76 | J/mol×K | 1020.77 | Joback Calculated Property |
| η | [0.0000388; 0.0009458] | Pa×s | [442.41; 819.41] |
|
| η | 0.0009458 | Pa×s | 442.41 | Joback Calculated Property |
| η | 0.0003990 | Pa×s | 505.24 | Joback Calculated Property |
| η | 0.0002037 | Pa×s | 568.08 | Joback Calculated Property |
| η | 0.0001189 | Pa×s | 630.91 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 693.74 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 756.58 | Joback Calculated Property |
| η | 0.0000388 | Pa×s | 819.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 4-chlorobenzyl 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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