- InChI
- InChI=1S/C16H28O4/c1-7-13(11(3)4)19-15(17)9-10-16(18)20-14(8-2)12(5)6/h9-14H,7-8H2,1-6H3/b10-9+
- InChI Key
- WQXYJBHHPWLNAO-MDZDMXLPSA-N
- Formula
- C16H28O4
- SMILES
-
CCC(OC(=O)C=CC(=O)OC(CC)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.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -946.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.43 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.498 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Inp | [1759.00; 1759.00] |
|
|
| Inp | 1759.00 | NIST | |
| Inp | 1759.00 | NIST | |
| Tboil | 558.45 | K | Relay (1.0) Calculated Property |
| Tfus | 269.64 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [698.34; 788.53] | J/mol×K | [684.52; 869.73] |
|
| Cp,gas | 698.34 | J/mol×K | 684.52 | Joback Calculated Property |
| Cp,gas | 715.77 | J/mol×K | 715.39 | Joback Calculated Property |
| Cp,gas | 732.21 | J/mol×K | 746.26 | Joback Calculated Property |
| Cp,gas | 747.69 | J/mol×K | 777.12 | Joback Calculated Property |
| Cp,gas | 762.23 | J/mol×K | 807.99 | Joback Calculated Property |
| Cp,gas | 775.83 | J/mol×K | 838.86 | Joback Calculated Property |
| Cp,gas | 788.53 | J/mol×K | 869.73 | Joback Calculated Property |
| η | [0.0000476; 0.0108061] | Pa×s | [289.66; 684.52] |
|
| η | 0.0108061 | Pa×s | 289.66 | Joback Calculated Property |
| η | 0.0018948 | Pa×s | 355.47 | Joback Calculated Property |
| η | 0.0005724 | Pa×s | 421.28 | Joback Calculated Property |
| η | 0.0002389 | Pa×s | 487.09 | Joback Calculated Property |
| η | 0.0001228 | Pa×s | 552.90 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 618.71 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 684.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(2-methylpent-3-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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