- InChI
- InChI=1S/C15H28O4/c1-10(2)9-12(5)18-14(16)7-8-15(17)19-13(6)11(3)4/h10-13H,7-9H2,1-6H3
- InChI Key
- WFWXKHKPHWGIGD-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
-
CC(C)CC(C)OC(=O)CCC(=O)OC(C)C(
C)C - Molecular Weight1
- 272.38
- 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 | -1022.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.19 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.332 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Inp | [1606.00; 1606.00] |
|
|
| Inp | 1606.00 | NIST | |
| Inp | 1606.00 | NIST | |
| Tboil | 533.80 | 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 | [355.10; 811.56] | 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 | 3.33430e+01 | |||
| Coefficient B | 1.34292e+00 | |||
| Coefficient C | -6.15800e-04 | |||
| Coefficient D | 5.11000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 355.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 433.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 504.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 568.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 625.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 676.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 719.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 756.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 787.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 811.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0131835; 0.0001045] | Pa×s | [283.47; 586.57] |
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 | -1.36898e+01 | |||
| Coefficient B | 2.65356e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 283.47 | |||
| Temperature range, max. | 586.57 | |||
| η | 0.0131835 | Pa×s | 283.47 | Calculated Property |
| η | 0.0048789 | Pa×s | 317.15 | Calculated Property |
| η | 0.0021852 | Pa×s | 350.83 | Calculated Property |
| η | 0.0011266 | Pa×s | 384.50 | Calculated Property |
| η | 0.0006463 | Pa×s | 418.18 | Calculated Property |
| η | 0.0004027 | Pa×s | 451.86 | Calculated Property |
| η | 0.0002680 | Pa×s | 485.54 | Calculated Property |
| η | 0.0001880 | Pa×s | 519.21 | Calculated Property |
| η | 0.0001377 | Pa×s | 552.89 | Calculated Property |
| η | 0.0001045 | Pa×s | 586.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-methylbut-2-yl 4-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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