- InChI
- InChI=1S/C18H34O4/c1-6-8-9-11-15(5)21-17(19)12-10-13-18(20)22-16(7-2)14(3)4/h14-16H,6-13H2,1-5H3
- InChI Key
- SLFDJMLCRHHERK-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCCCCC(C)OC(=O)CCCC(=O)OC(CC)C
(C)C - Molecular Weight1
- 314.47
- 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).
- Tc : Critical 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 | -1076.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.647 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Inp | [1926.00; 1926.00] |
|
|
| Inp | 1926.00 | NIST | |
| Inp | 1926.00 | NIST | |
| Tboil | 580.84 | K | Relay (1.0) Calculated Property |
| Tc | 747.60 | K | Relay (1.0) Calculated Property |
| Tfus | 237.81 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [850.95; 943.60] | J/mol×K | [762.50; 945.56] |
|
| Cp,gas | 850.95 | J/mol×K | 762.50 | Joback Calculated Property |
| Cp,gas | 868.82 | J/mol×K | 793.01 | Joback Calculated Property |
| Cp,gas | 885.70 | J/mol×K | 823.52 | Joback Calculated Property |
| Cp,gas | 901.60 | J/mol×K | 854.03 | Joback Calculated Property |
| Cp,gas | 916.55 | J/mol×K | 884.54 | Joback Calculated Property |
| Cp,gas | 930.54 | J/mol×K | 915.05 | Joback Calculated Property |
| Cp,gas | 943.60 | J/mol×K | 945.56 | Joback Calculated Property |
| η | [0.0000552; 0.0019037] | Pa×s | [391.94; 762.50] |
|
| η | 0.0019037 | Pa×s | 391.94 | Joback Calculated Property |
| η | 0.0007062 | Pa×s | 453.70 | Joback Calculated Property |
| η | 0.0003322 | Pa×s | 515.46 | Joback Calculated Property |
| η | 0.0001837 | Pa×s | 577.22 | Joback Calculated Property |
| η | 0.0001139 | Pa×s | 638.98 | Joback Calculated Property |
| η | 0.0000768 | Pa×s | 700.74 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 762.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hept-2-yl 2-methylpent-3-yl 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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