- InChI
- InChI=1S/C14H20O4/c1-5-7-11(3)17-13(15)9-10-14(16)18-12(4)8-6-2/h5-6,9-12H,1-2,7-8H2,3-4H3/b10-9+
- InChI Key
- ONSTWLLKVJJSQB-MDZDMXLPSA-N
- Formula
- C14H20O4
- SMILES
-
C=CCC(C)OC(=O)/C=C/C(=O)OC(C)C
C=C - Molecular Weight1
- 252.31
- 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).
- IE : Ionization energy (eV).
- 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 | -724.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.558 | Crippen Calculated Property | |
| McVol | 210.100 | ml/mol | McGowan Calculated Property |
| Inp | [1616.00; 1616.00] |
|
|
| Inp | 1616.00 | NIST | |
| Inp | 1616.00 | NIST | |
| Tboil | 540.97 | K | Relay (1.0) Calculated Property |
| Tfus | 270.01 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [543.94; 622.00] | J/mol×K | [633.00; 820.68] |
|
| Cp,gas | 543.94 | J/mol×K | 633.00 | Joback Calculated Property |
| Cp,gas | 559.03 | J/mol×K | 664.28 | Joback Calculated Property |
| Cp,gas | 573.26 | J/mol×K | 695.56 | Joback Calculated Property |
| Cp,gas | 586.65 | J/mol×K | 726.84 | Joback Calculated Property |
| Cp,gas | 599.22 | J/mol×K | 758.12 | Joback Calculated Property |
| Cp,gas | 611.00 | J/mol×K | 789.40 | Joback Calculated Property |
| Cp,gas | 622.00 | J/mol×K | 820.68 | Joback Calculated Property |
| η | [0.0000802; 0.0056479] | Pa×s | [293.60; 633.00] |
|
| η | 0.0056479 | Pa×s | 293.60 | Joback Calculated Property |
| η | 0.0015675 | Pa×s | 350.17 | Joback Calculated Property |
| η | 0.0006214 | Pa×s | 406.73 | Joback Calculated Property |
| η | 0.0003088 | Pa×s | 463.30 | Joback Calculated Property |
| η | 0.0001787 | Pa×s | 519.87 | Joback Calculated Property |
| η | 0.0001151 | Pa×s | 576.43 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 633.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, di(pent-4-en-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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