- InChI
- InChI=1S/C16H28O4/c1-11(15(3,4)5)19-13(17)9-10-14(18)20-12(2)16(6,7)8/h9-12H,1-8H3/b10-9+
- InChI Key
- KWLHKXVMTJVPQF-MDZDMXLPSA-N
- Formula
- C16H28O4
- SMILES
-
CC(OC(=O)C=CC(=O)OC(C)C(C)(C)C
)C(C)(C)C - Molecular Weight1
- 284.39
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -948.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.84 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.498 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Inp | [1700.00; 1700.00] |
|
|
| Inp | 1700.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Tfus | 352.33 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [702.22; 793.61] | J/mol×K | [678.94; 874.69] |
|
| Cp,gas | 702.22 | J/mol×K | 678.94 | Joback Calculated Property |
| Cp,gas | 720.18 | J/mol×K | 711.57 | Joback Calculated Property |
| Cp,gas | 736.98 | J/mol×K | 744.19 | Joback Calculated Property |
| Cp,gas | 752.67 | J/mol×K | 776.82 | Joback Calculated Property |
| Cp,gas | 767.30 | J/mol×K | 809.44 | Joback Calculated Property |
| Cp,gas | 780.93 | J/mol×K | 842.07 | Joback Calculated Property |
| Cp,gas | 793.61 | J/mol×K | 874.69 | Joback Calculated Property |
| η | [0.0000402; 0.0061711] | Pa×s | [324.50; 678.94] |
|
| η | 0.0061711 | Pa×s | 324.50 | Joback Calculated Property |
| η | 0.0013975 | Pa×s | 383.57 | Joback Calculated Property |
| η | 0.0004704 | Pa×s | 442.65 | Joback Calculated Property |
| η | 0.0002046 | Pa×s | 501.72 | Joback Calculated Property |
| η | 0.0001061 | Pa×s | 560.79 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 619.87 | Joback Calculated Property |
| η | 0.0000402 | Pa×s | 678.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(3,3-dimethylbut-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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