- InChI
- InChI=1S/C18H24O4/c1-15(2)11-13-21-17(19)9-6-10-18(20)22-14-12-16-7-4-3-5-8-16/h3-5,7-8,11H,6,9-10,12-14H2,1-2H3
- InChI Key
- CZJIYNHLEVCWMH-UHFFFAOYSA-N
- Formula
- C18H24O4
- SMILES
-
CC(C)=CCOC(=O)CCCC(=O)OCCc1ccc
cc1 - Molecular Weight1
- 304.38
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 44.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.452 | Crippen Calculated Property | |
| McVol | 251.300 | ml/mol | McGowan Calculated Property |
| Inp | 2244.00 | NIST | |
| Tboil | 635.04 | K | Relay (1.0) Calculated Property |
| Tfus | 279.59 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [724.73; 803.62] | J/mol×K | [758.60; 960.68] | 
|
| Cp,gas | 724.73 | J/mol×K | 758.60 | Joback Calculated Property |
| Cp,gas | 740.56 | J/mol×K | 792.28 | Joback Calculated Property |
| Cp,gas | 755.27 | J/mol×K | 825.96 | Joback Calculated Property |
| Cp,gas | 768.89 | J/mol×K | 859.64 | Joback Calculated Property |
| Cp,gas | 781.47 | J/mol×K | 893.32 | Joback Calculated Property |
| Cp,gas | 793.03 | J/mol×K | 927.00 | Joback Calculated Property |
| Cp,gas | 803.62 | J/mol×K | 960.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl phenethyl 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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