- InChI
- InChI=1S/C15H28O5/c1-6-15(7-2,14(17)20-11-12(4)5)13(16)19-10-9-18-8-3/h12H,6-11H2,1-5H3
- InChI Key
- ALBMUEFVEAYXFH-UHFFFAOYSA-N
- Formula
- C15H28O5
- SMILES
-
CCOCCOC(=O)C(CC)(CC)C(=O)OCC(C
)C - Molecular Weight1
- 288.38
- 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).
- Pc : Critical Pressure (kPa).
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1095.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.572 | Crippen Calculated Property | |
| McVol | 242.960 | ml/mol | McGowan Calculated Property |
| Pc | 1436.98 | kPa | Joback Calculated Property |
| Inp | [1626.00; 1626.00] |
|
|
| Inp | 1626.00 | NIST | |
| Inp | 1626.00 | NIST | |
| Tboil | 562.66 | K | Relay (1.0) Calculated Property |
| Tc | 737.82 | K | Relay (1.0) Calculated Property |
| Tfus | 254.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [369.99; 829.92] | 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 | 3.94160e+01 | |||
| Coefficient B | 1.38780e+00 | |||
| Coefficient C | -6.67000e-04 | |||
| Coefficient D | 6.97000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 369.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 449.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 522.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 587.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 644.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 694.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 738.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 775.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 805.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 829.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026572; 0.0000899] | Pa×s | [353.12; 600.45] |
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 | -1.41507e+01 | |||
| Coefficient B | 2.90273e+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. | 353.12 | |||
| Temperature range, max. | 600.45 | |||
| η | 0.0026572 | Pa×s | 353.12 | Calculated Property |
| η | 0.0014678 | Pa×s | 380.60 | Calculated Property |
| η | 0.0008782 | Pa×s | 408.08 | Calculated Property |
| η | 0.0005607 | Pa×s | 435.56 | Calculated Property |
| η | 0.0003775 | Pa×s | 463.04 | Calculated Property |
| η | 0.0002657 | Pa×s | 490.52 | Calculated Property |
| η | 0.0001941 | Pa×s | 518.00 | Calculated Property |
| η | 0.0001464 | Pa×s | 545.49 | Calculated Property |
| η | 0.0001134 | Pa×s | 572.97 | Calculated Property |
| η | 0.0000899 | Pa×s | 600.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2-ethoxylethyl isobutyl ester.
Sources
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