- InChI
- InChI=1S/C17H23ClO4/c1-13(2)5-4-12-21-16(19)6-3-7-17(20)22-15-10-8-14(18)9-11-15/h8-11,13H,3-7,12H2,1-2H3
- InChI Key
- GUYIDAASEHGRHK-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
CC(C)CCCOC(=O)CCCC(=O)Oc1ccc(C
l)cc1 - Molecular Weight1
- 326.82
- 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).
- IE : Ionization energy (eV).
- 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 | -821.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.395 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Inp | [2372.00; 2372.00] |
|
|
| Inp | 2372.00 | NIST | |
| Inp | 2372.00 | NIST | |
| Tboil | 631.20 | 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, 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 | [721.34; 793.87] | J/mol×K | [773.65; 976.41] |
|
| Cp,gas | 721.34 | J/mol×K | 773.65 | Joback Calculated Property |
| Cp,gas | 736.17 | J/mol×K | 807.44 | Joback Calculated Property |
| Cp,gas | 749.87 | J/mol×K | 841.24 | Joback Calculated Property |
| Cp,gas | 762.48 | J/mol×K | 875.03 | Joback Calculated Property |
| Cp,gas | 774.00 | J/mol×K | 908.82 | Joback Calculated Property |
| Cp,gas | 784.45 | J/mol×K | 942.61 | Joback Calculated Property |
| Cp,gas | 793.87 | J/mol×K | 976.41 | Joback Calculated Property |
| η | [0.0000521; 0.0012020] | Pa×s | [419.87; 773.65] |
|
| η | 0.0012020 | Pa×s | 419.87 | Joback Calculated Property |
| η | 0.0005162 | Pa×s | 478.83 | Joback Calculated Property |
| η | 0.0002668 | Pa×s | 537.80 | Joback Calculated Property |
| η | 0.0001571 | Pa×s | 596.76 | Joback Calculated Property |
| η | 0.0001018 | Pa×s | 655.72 | Joback Calculated Property |
| η | 0.0000708 | Pa×s | 714.69 | Joback Calculated Property |
| η | 0.0000521 | Pa×s | 773.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-chlorophenyl isohexyl 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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