- InChI
- InChI=1S/C21H32O4/c1-4-6-7-12-17(3)24-20(22)15-10-16-21(23)25-19-14-9-8-13-18(19)11-5-2/h8-9,13-14,17H,4-7,10-12,15-16H2,1-3H3
- InChI Key
- XJARTRUMZBVWNH-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)Oc1cccc
c1CCC - Molecular Weight1
- 348.48
- 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 | -875.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.06 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.227 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Inp | [2358.00; 2358.00] |
|
|
| Inp | 2358.00 | NIST | |
| Inp | 2358.00 | NIST | |
| Tboil | 632.54 | 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 | [923.72; 1006.02] | J/mol×K | [827.74; 1024.97] |
|
| Cp,gas | 923.72 | J/mol×K | 827.74 | Joback Calculated Property |
| Cp,gas | 940.45 | J/mol×K | 860.61 | Joback Calculated Property |
| Cp,gas | 955.95 | J/mol×K | 893.48 | Joback Calculated Property |
| Cp,gas | 970.22 | J/mol×K | 926.36 | Joback Calculated Property |
| Cp,gas | 983.31 | J/mol×K | 959.23 | Joback Calculated Property |
| Cp,gas | 995.23 | J/mol×K | 992.10 | Joback Calculated Property |
| Cp,gas | 1006.02 | J/mol×K | 1024.97 | Joback Calculated Property |
| η | [0.0000338; 0.0009791] | Pa×s | [435.03; 827.74] |
|
| η | 0.0009791 | Pa×s | 435.03 | Joback Calculated Property |
| η | 0.0003871 | Pa×s | 500.48 | Joback Calculated Property |
| η | 0.0001897 | Pa×s | 565.93 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 631.38 | Joback Calculated Property |
| η | 0.0000681 | Pa×s | 696.84 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 762.29 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 827.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2-propylphenyl 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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