- InChI
- InChI=1S/C15H28O4/c1-6-12(7-2)11-19-14(17)15(8-3,9-4)13(16)18-10-5/h12H,6-11H2,1-5H3
- InChI Key
- URPZAHDSLWRHQO-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)OCC(CC)C
C - Molecular Weight1
- 272.38
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -971.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.28 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.335 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Inp | [1543.00; 1543.00] |
|
|
| Inp | 1543.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Tboil | 547.72 | K | Relay (1.0) Calculated Property |
| Tfus | 235.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [665.86; 755.74] | J/mol×K | [655.57; 835.49] |
|
| Cp,gas | 665.86 | J/mol×K | 655.57 | Joback Calculated Property |
| Cp,gas | 683.12 | J/mol×K | 685.56 | Joback Calculated Property |
| Cp,gas | 699.44 | J/mol×K | 715.54 | Joback Calculated Property |
| Cp,gas | 714.84 | J/mol×K | 745.53 | Joback Calculated Property |
| Cp,gas | 729.35 | J/mol×K | 775.51 | Joback Calculated Property |
| Cp,gas | 742.97 | J/mol×K | 805.50 | Joback Calculated Property |
| Cp,gas | 755.74 | J/mol×K | 835.49 | Joback Calculated Property |
| η | [0.0000691; 0.0044348] | Pa×s | [330.89; 655.57] |
|
| η | 0.0044348 | Pa×s | 330.89 | Joback Calculated Property |
| η | 0.0013612 | Pa×s | 385.00 | Joback Calculated Property |
| η | 0.0005590 | Pa×s | 439.12 | Joback Calculated Property |
| η | 0.0002790 | Pa×s | 493.23 | Joback Calculated Property |
| η | 0.0001598 | Pa×s | 547.34 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 601.46 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 655.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, ethyl 2-ethylbutyl 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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