- InChI
- InChI=1S/C12H22O4/c1-6-12(7-2,10(13)15-8-3)11(14)16-9(4)5/h9H,6-8H2,1-5H3
- InChI Key
- ZXADVZIAXXDCRH-UHFFFAOYSA-N
- Formula
- C12H22O4
- SMILES
- CCOC(=O)C(CC)(CC)C(=O)OC(C)C
- Molecular Weight1
- 230.30
- ω : Acentric Factor.
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5878 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -918.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.308 | Crippen Calculated Property | |
| McVol | 194.820 | ml/mol | McGowan Calculated Property |
| Pc | 1837.26 | kPa | Joback Calculated Property |
| Inp | [1260.00; 1260.00] |
|
|
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Tboil | 494.48 | K | Relay (1.0) Calculated Property |
| Tc | 688.36 | K | Relay (1.0) Calculated Property |
| Tfus | 260.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.712 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [507.17; 590.92] | J/mol×K | [586.93; 771.15] |
|
| Cp,gas | 507.17 | J/mol×K | 586.93 | Joback Calculated Property |
| Cp,gas | 523.20 | J/mol×K | 617.63 | Joback Calculated Property |
| Cp,gas | 538.38 | J/mol×K | 648.34 | Joback Calculated Property |
| Cp,gas | 552.73 | J/mol×K | 679.04 | Joback Calculated Property |
| Cp,gas | 566.26 | J/mol×K | 709.74 | Joback Calculated Property |
| Cp,gas | 578.98 | J/mol×K | 740.45 | Joback Calculated Property |
| Cp,gas | 590.92 | J/mol×K | 771.15 | Joback Calculated Property |
| η | [0.0001077; 0.0068497] | Pa×s | [297.08; 586.93] |
|
| η | 0.0068497 | Pa×s | 297.08 | Joback Calculated Property |
| η | 0.0021129 | Pa×s | 345.39 | Joback Calculated Property |
| η | 0.0008698 | Pa×s | 393.70 | Joback Calculated Property |
| η | 0.0004348 | Pa×s | 442.00 | Joback Calculated Property |
| η | 0.0002491 | Pa×s | 490.31 | Joback Calculated Property |
| η | 0.0001577 | Pa×s | 538.62 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 586.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, ethyl isopropyl ester.
Sources
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