- InChI
- InChI=1S/C20H30O4/c1-4-6-7-10-16(3)23-19(21)13-9-14-20(22)24-18-12-8-11-17(5-2)15-18/h8,11-12,15-16H,4-7,9-10,13-14H2,1-3H3
- InChI Key
- IAEJKEIZZRKOHZ-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1cccc
(CC)c1 - Molecular Weight1
- 334.45
- 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 | -862.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.48 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.837 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Inp | [2328.00; 2328.00] |
|
|
| Inp | 2328.00 | NIST | |
| Inp | 2328.00 | NIST | |
| Tboil | 625.84 | 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 | [864.80; 946.84] | J/mol×K | [804.86; 1001.59] |
|
| Cp,gas | 864.80 | J/mol×K | 804.86 | Joback Calculated Property |
| Cp,gas | 881.40 | J/mol×K | 837.65 | Joback Calculated Property |
| Cp,gas | 896.80 | J/mol×K | 870.44 | Joback Calculated Property |
| Cp,gas | 911.02 | J/mol×K | 903.23 | Joback Calculated Property |
| Cp,gas | 924.08 | J/mol×K | 936.01 | Joback Calculated Property |
| Cp,gas | 936.01 | J/mol×K | 968.80 | Joback Calculated Property |
| Cp,gas | 946.84 | J/mol×K | 1001.59 | Joback Calculated Property |
| η | [0.0000391; 0.0011089] | Pa×s | [423.76; 804.86] |
|
| η | 0.0011089 | Pa×s | 423.76 | Joback Calculated Property |
| η | 0.0004416 | Pa×s | 487.28 | Joback Calculated Property |
| η | 0.0002175 | Pa×s | 550.79 | Joback Calculated Property |
| η | 0.0001240 | Pa×s | 614.31 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 677.83 | Joback Calculated Property |
| η | 0.0000538 | Pa×s | 741.34 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 804.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 3-ethylphenyl 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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