- InChI
- InChI=1S/C8H14O6/c1-12-5(4-6(9)13-2)7(10)8(11)14-3/h5,7,10H,4H2,1-3H3
- InChI Key
- BJOASXQKJRDION-UHFFFAOYSA-N
- Formula
- C8H14O6
- SMILES
- COC(=O)CC(OC)C(O)C(=O)OC
- Molecular Weight1
- 206.19
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1110.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.06 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | -0.902 | Crippen Calculated Property | |
| McVol | 150.200 | ml/mol | McGowan Calculated Property |
| Inp | 1435.00 | NIST | |
| Tboil | 524.79 | K | Relay (1.0) Calculated Property |
| Tfus | 305.08 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [391.02; 446.90] | J/mol×K | [612.80; 789.44] | 
|
| Cp,gas | 391.02 | J/mol×K | 612.80 | Joback Calculated Property |
| Cp,gas | 401.65 | J/mol×K | 642.24 | Joback Calculated Property |
| Cp,gas | 411.77 | J/mol×K | 671.68 | Joback Calculated Property |
| Cp,gas | 421.36 | J/mol×K | 701.12 | Joback Calculated Property |
| Cp,gas | 430.42 | J/mol×K | 730.56 | Joback Calculated Property |
| Cp,gas | 438.94 | J/mol×K | 760.00 | Joback Calculated Property |
| Cp,gas | 446.90 | J/mol×K | 789.44 | Joback Calculated Property |
| η | [0.0000413; 0.0123884] | Pa×s | [317.63; 612.80] |
|
| η | 0.0123884 | Pa×s | 317.63 | Joback Calculated Property |
| η | 0.0025320 | Pa×s | 366.82 | Joback Calculated Property |
| η | 0.0007533 | Pa×s | 416.02 | Joback Calculated Property |
| η | 0.0002896 | Pa×s | 465.21 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 514.41 | Joback Calculated Property |
| η | 0.0000706 | Pa×s | 563.61 | Joback Calculated Property |
| η | 0.0000413 | Pa×s | 612.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxy-3-methoxycarbonyl-pentanedioic acid dimethyl 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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