- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.94; 633.75] | 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 | 5.41520e+01 | |||
| Coefficient B | 9.90080e-01 | |||
| Coefficient C | -4.08800e-04 | |||
| Coefficient D | -1.68000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 293.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 353.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 407.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 455.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 498.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 536.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 568.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 595.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 617.53 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 633.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029253; 0.0001653] | Pa×s | [379.52; 623.36] |
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 | -1.31800e+01 | |||
| Coefficient B | 2.78782e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 379.52 | |||
| Temperature range, max. | 623.36 | |||
| η | 0.0029253 | Pa×s | 379.52 | Calculated Property |
| η | 0.0017931 | Pa×s | 406.61 | Calculated Property |
| η | 0.0011684 | Pa×s | 433.71 | Calculated Property |
| η | 0.0008007 | Pa×s | 460.80 | Calculated Property |
| η | 0.0005722 | Pa×s | 487.89 | Calculated Property |
| η | 0.0004236 | Pa×s | 514.99 | Calculated Property |
| η | 0.0003232 | Pa×s | 542.08 | Calculated Property |
| η | 0.0002530 | Pa×s | 569.18 | Calculated Property |
| η | 0.0002025 | Pa×s | 596.27 | Calculated Property |
| η | 0.0001653 | Pa×s | 623.36 | 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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