- InChI
- InChI=1S/C15H28O4/c1-7-15(8-2,13(16)18-9-3)14(17)19-12(6)10-11(4)5/h11-12H,7-10H2,1-6H3
- InChI Key
- QOMKEPLQRXPOCG-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)OC(C)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).
- 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 | -993.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.51 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.334 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Inp | 1472.00 | NIST | |
| Tboil | 532.37 | K | Relay (1.0) Calculated Property |
| Tfus | 253.58 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [666.28; 757.42] | J/mol×K | [655.13; 837.78] | 
|
| Cp,gas | 666.28 | J/mol×K | 655.13 | Joback Calculated Property |
| Cp,gas | 683.84 | J/mol×K | 685.57 | Joback Calculated Property |
| Cp,gas | 700.42 | J/mol×K | 716.01 | Joback Calculated Property |
| Cp,gas | 716.05 | J/mol×K | 746.45 | Joback Calculated Property |
| Cp,gas | 730.75 | J/mol×K | 776.89 | Joback Calculated Property |
| Cp,gas | 744.53 | J/mol×K | 807.34 | Joback Calculated Property |
| Cp,gas | 757.42 | J/mol×K | 837.78 | Joback Calculated Property |
| η | [0.0000642; 0.0065160] | Pa×s | [315.89; 655.13] |
|
| η | 0.0065160 | Pa×s | 315.89 | Joback Calculated Property |
| η | 0.0016816 | Pa×s | 372.43 | Joback Calculated Property |
| η | 0.0006202 | Pa×s | 428.97 | Joback Calculated Property |
| η | 0.0002886 | Pa×s | 485.51 | Joback Calculated Property |
| η | 0.0001575 | Pa×s | 542.05 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 598.59 | Joback Calculated Property |
| η | 0.0000642 | Pa×s | 655.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, ethyl 4-methylpent-2-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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