- InChI
- InChI=1S/C12H18O6/c1-7(13)9(3)17-11(15)5-6-12(16)18-10(4)8(2)14/h9-10H,5-6H2,1-4H3
- InChI Key
- MJFIYODJICINQS-UHFFFAOYSA-N
- Formula
- C12H18O6
- SMILES
-
CC(=O)C(C)OC(=O)CCC(=O)OC(C)C(
C)=O - Molecular Weight1
- 258.27
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1191.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.36 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.808 | Crippen Calculated Property | |
| McVol | 197.960 | ml/mol | McGowan Calculated Property |
| Inp | [1740.00; 1740.00] |
|
|
| Inp | 1740.00 | NIST | |
| Inp | 1740.00 | NIST | |
| Tboil | 531.19 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [545.26; 610.46] | J/mol×K | [697.46; 890.52] |
|
| Cp,gas | 545.26 | J/mol×K | 697.46 | Joback Calculated Property |
| Cp,gas | 558.27 | J/mol×K | 729.64 | Joback Calculated Property |
| Cp,gas | 570.41 | J/mol×K | 761.81 | Joback Calculated Property |
| Cp,gas | 581.71 | J/mol×K | 793.99 | Joback Calculated Property |
| Cp,gas | 592.15 | J/mol×K | 826.17 | Joback Calculated Property |
| Cp,gas | 601.73 | J/mol×K | 858.34 | Joback Calculated Property |
| Cp,gas | 610.46 | J/mol×K | 890.52 | Joback Calculated Property |
| η | [0.0001028; 0.0029253] | Pa×s | [379.52; 697.46] |
|
| η | 0.0029253 | Pa×s | 379.52 | Joback Calculated Property |
| η | 0.0011894 | Pa×s | 432.51 | Joback Calculated Property |
| η | 0.0005886 | Pa×s | 485.50 | Joback Calculated Property |
| η | 0.0003345 | Pa×s | 538.49 | Joback Calculated Property |
| η | 0.0002104 | Pa×s | 591.48 | Joback Calculated Property |
| η | 0.0001428 | Pa×s | 644.47 | Joback Calculated Property |
| η | 0.0001028 | Pa×s | 697.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, di(3-oxobut-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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