- InChI
- InChI=1S/C15H17ClO5/c1-2-8-20-14(18)4-3-5-15(19)21-13-7-6-12(16)9-11(13)10-17/h6-7,9-10H,2-5,8H2,1H3
- InChI Key
- SZMCCYAMSFSGPN-UHFFFAOYSA-N
- Formula
- C15H17ClO5
- SMILES
-
CCCOC(=O)CCCC(=O)Oc1ccc(Cl)cc1
C=O - Molecular Weight1
- 312.75
- Other Names
-
- Glutaric acid, 2-acetyl-4-chlorophenyl propyl ester
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -858.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.89 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.181 | Crippen Calculated Property | |
| McVol | 227.140 | ml/mol | McGowan Calculated Property |
| Inp | 2337.00 | NIST | |
| Tboil | 627.00 | K | Relay (1.0) Calculated Property |
| Tfus | 292.04 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [624.34; 681.81] | J/mol×K | [781.97; 989.05] | 
|
| Cp,gas | 624.34 | J/mol×K | 781.97 | Joback Calculated Property |
| Cp,gas | 636.42 | J/mol×K | 816.48 | Joback Calculated Property |
| Cp,gas | 647.49 | J/mol×K | 851.00 | Joback Calculated Property |
| Cp,gas | 657.56 | J/mol×K | 885.51 | Joback Calculated Property |
| Cp,gas | 666.63 | J/mol×K | 920.02 | Joback Calculated Property |
| Cp,gas | 674.71 | J/mol×K | 954.54 | Joback Calculated Property |
| Cp,gas | 681.81 | J/mol×K | 989.05 | Joback Calculated Property |
| η | [0.0000809; 0.0009045] | Pa×s | [466.85; 781.97] |
|
| η | 0.0009045 | Pa×s | 466.85 | Joback Calculated Property |
| η | 0.0004935 | Pa×s | 519.37 | Joback Calculated Property |
| η | 0.0003009 | Pa×s | 571.89 | Joback Calculated Property |
| η | 0.0001994 | Pa×s | 624.41 | Joback Calculated Property |
| η | 0.0001409 | Pa×s | 676.93 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 729.45 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 781.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-formyl-4-chlorophenyl propyl 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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