- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.59; 811.42] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.39160e+01 | |||
| Coefficient B | 1.45100e+00 | |||
| Coefficient C | -7.78000e-04 | |||
| Coefficient D | 1.24500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 354.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 435.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 507.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 572.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 628.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 678.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 720.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 756.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 787.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 811.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044348; 0.0001154] | Pa×s | [330.89; 584.84] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.38218e+01 | |||
| Coefficient B | 2.78064e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 330.89 | |||
| Temperature range, max. | 584.84 | |||
| η | 0.0044348 | Pa×s | 330.89 | Calculated Property |
| η | 0.0022915 | Pa×s | 359.11 | Calculated Property |
| η | 0.0013035 | Pa×s | 387.32 | Calculated Property |
| η | 0.0008006 | Pa×s | 415.54 | Calculated Property |
| η | 0.0005231 | Pa×s | 443.76 | Calculated Property |
| η | 0.0003597 | Pa×s | 471.97 | Calculated Property |
| η | 0.0002580 | Pa×s | 500.19 | Calculated Property |
| η | 0.0001917 | Pa×s | 528.41 | Calculated Property |
| η | 0.0001468 | Pa×s | 556.62 | Calculated Property |
| η | 0.0001154 | Pa×s | 584.84 | 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
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