- InChI
- InChI=1S/C12H22O5/c1-5-9(3)10(4)17-12(14)8-15-7-11(13)16-6-2/h9-10H,5-8H2,1-4H3
- InChI Key
- WAUIMLYYOVTFTJ-UHFFFAOYSA-N
- Formula
- C12H22O5
- SMILES
- CCOC(=O)COCC(=O)OC(C)C(C)CC
- Molecular Weight1
- 246.30
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1070.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.19 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.544 | Crippen Calculated Property | |
| McVol | 200.690 | ml/mol | McGowan Calculated Property |
| Inp | 1925.00 | NIST | |
| Tboil | 544.78 | K | Relay (1.0) Calculated Property |
| Tc | 710.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [544.21; 623.21] | J/mol×K | [648.08; 830.65] | 
|
| Cp,gas | 544.21 | J/mol×K | 648.08 | Joback Calculated Property |
| Cp,gas | 559.13 | J/mol×K | 678.51 | Joback Calculated Property |
| Cp,gas | 573.35 | J/mol×K | 708.94 | Joback Calculated Property |
| Cp,gas | 586.88 | J/mol×K | 739.36 | Joback Calculated Property |
| Cp,gas | 599.71 | J/mol×K | 769.79 | Joback Calculated Property |
| Cp,gas | 611.82 | J/mol×K | 800.22 | Joback Calculated Property |
| Cp,gas | 623.21 | J/mol×K | 830.65 | Joback Calculated Property |
| η | [0.0001023; 0.0018669] | Pa×s | [361.55; 648.08] |
|
| η | 0.0018669 | Pa×s | 361.55 | Joback Calculated Property |
| η | 0.0008676 | Pa×s | 409.31 | Joback Calculated Property |
| η | 0.0004732 | Pa×s | 457.06 | Joback Calculated Property |
| η | 0.0002895 | Pa×s | 504.81 | Joback Calculated Property |
| η | 0.0001928 | Pa×s | 552.57 | Joback Calculated Property |
| η | 0.0001370 | Pa×s | 600.32 | Joback Calculated Property |
| η | 0.0001023 | Pa×s | 648.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diglycolic acid, ethyl 3-methylpent-2-yl 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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