- InChI
- InChI=1S/C13H24O6/c1-5-13(6-2,11(14)18-9-7-16-3)12(15)19-10-8-17-4/h5-10H2,1-4H3
- InChI Key
- GTGKJDYHUYAMQT-UHFFFAOYSA-N
- Formula
- C13H24O6
- SMILES
- CCC(CC)(C(=O)OCCOC)C(=O)OCCOC
- Molecular Weight1
- 276.33
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1140.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.172 | Crippen Calculated Property | |
| McVol | 220.650 | ml/mol | McGowan Calculated Property |
| Inp | [1620.00; 1620.00] |
|
|
| Inp | 1620.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Tboil | 562.66 | K | Relay (1.0) Calculated Property |
| Tc | 736.68 | K | Relay (1.0) Calculated Property |
| Tfus | 271.45 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.28; 744.70] | 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 | 6.84160e+01 | |||
| Coefficient B | 1.12868e+00 | |||
| Coefficient C | -4.44000e-04 | |||
| Coefficient D | -8.40000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 343.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 411.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 474.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 531.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 581.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 626.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 665.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 697.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 724.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 744.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015990; 0.0000959] | Pa×s | [367.81; 583.59] |
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 | -1.40474e+01 | |||
| Coefficient B | 2.79868e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 367.81 | |||
| Temperature range, max. | 583.59 | |||
| η | 0.0015990 | Pa×s | 367.81 | Calculated Property |
| η | 0.0010037 | Pa×s | 391.79 | Calculated Property |
| η | 0.0006648 | Pa×s | 415.76 | Calculated Property |
| η | 0.0004606 | Pa×s | 439.74 | Calculated Property |
| η | 0.0003314 | Pa×s | 463.71 | Calculated Property |
| η | 0.0002464 | Pa×s | 487.69 | Calculated Property |
| η | 0.0001883 | Pa×s | 511.66 | Calculated Property |
| η | 0.0001474 | Pa×s | 535.64 | Calculated Property |
| η | 0.0001178 | Pa×s | 559.62 | Calculated Property |
| η | 0.0000959 | Pa×s | 583.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(2-methoxyethyl) 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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