- InChI
- InChI=1S/C13H24O4/c1-6-16-11(14)13(4,5)12(15)17-9-7-8-10(2)3/h10H,6-9H2,1-5H3
- InChI Key
- QDQYWWRYXQNWHQ-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
- CCOC(=O)C(C)(C)C(=O)OCCCC(C)C
- Molecular Weight1
- 244.33
- 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).
- 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 | -957.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.70 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.555 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Inp | 1434.00 | NIST | |
| Tboil | 514.35 | K | Relay (1.0) Calculated Property |
| Tc | 703.86 | K | Relay (1.0) Calculated Property |
| Tfus | 233.50 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [558.69; 644.82] | J/mol×K | [609.81; 792.30] | 
|
| Cp,gas | 558.69 | J/mol×K | 609.81 | Joback Calculated Property |
| Cp,gas | 575.19 | J/mol×K | 640.22 | Joback Calculated Property |
| Cp,gas | 590.81 | J/mol×K | 670.64 | Joback Calculated Property |
| Cp,gas | 605.56 | J/mol×K | 701.05 | Joback Calculated Property |
| Cp,gas | 619.47 | J/mol×K | 731.47 | Joback Calculated Property |
| Cp,gas | 632.55 | J/mol×K | 761.88 | Joback Calculated Property |
| Cp,gas | 644.82 | J/mol×K | 792.30 | Joback Calculated Property |
| η | [0.0000931; 0.0059438] | Pa×s | [308.35; 609.81] |
|
| η | 0.0059438 | Pa×s | 308.35 | Joback Calculated Property |
| η | 0.0018302 | Pa×s | 358.59 | Joback Calculated Property |
| η | 0.0007528 | Pa×s | 408.84 | Joback Calculated Property |
| η | 0.0003761 | Pa×s | 459.08 | Joback Calculated Property |
| η | 0.0002155 | Pa×s | 509.32 | Joback Calculated Property |
| η | 0.0001364 | Pa×s | 559.57 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 609.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, ethyl isohexyl 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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