- InChI
- InChI=1S/C14H26O4/c1-6-11(7-2)14(8-3,12(15)17-9-4)13(16)18-10-5/h11H,6-10H2,1-5H3
- InChI Key
- YBCAIADYSNMQJE-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCOC(=O)C(CC)(C(=O)OCC)C(CC)CC
- Molecular Weight1
- 258.36
- Other Names
-
- Diethyl,ethyl(1-ethylpropyl) malonate
- Malonic acid, ethyl(1-ethylpropyl)-, diethyl ester
- 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).
- 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 | -905.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.945 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Tboil | 530.84 | K | Relay (1.0) Calculated Property |
| Tfus | 236.23 | 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 | [611.62; 699.78] | J/mol×K | [632.69; 813.73] | 
|
| Cp,gas | 611.62 | J/mol×K | 632.69 | Joback Calculated Property |
| Cp,gas | 628.52 | J/mol×K | 662.86 | Joback Calculated Property |
| Cp,gas | 644.52 | J/mol×K | 693.04 | Joback Calculated Property |
| Cp,gas | 659.62 | J/mol×K | 723.21 | Joback Calculated Property |
| Cp,gas | 673.85 | J/mol×K | 753.38 | Joback Calculated Property |
| Cp,gas | 687.23 | J/mol×K | 783.55 | Joback Calculated Property |
| Cp,gas | 699.78 | J/mol×K | 813.73 | Joback Calculated Property |
| η | [0.0000803; 0.0051414] | Pa×s | [319.62; 632.69] |
|
| η | 0.0051414 | Pa×s | 319.62 | Joback Calculated Property |
| η | 0.0015805 | Pa×s | 371.80 | Joback Calculated Property |
| η | 0.0006495 | Pa×s | 423.98 | Joback Calculated Property |
| η | 0.0003244 | Pa×s | 476.15 | Joback Calculated Property |
| η | 0.0001858 | Pa×s | 528.33 | Joback Calculated Property |
| η | 0.0001176 | Pa×s | 580.51 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 632.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanedioic acid, ethyl(1-ethylpropyl)-, diethyl 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
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