- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.90; 671.29] | 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 | 1.74520e+01 | |||
| Coefficient B | 1.21604e+00 | |||
| Coefficient C | -6.84600e-04 | |||
| Coefficient D | 1.22400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 300.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 367.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 426.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 479.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 525.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 564.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 599.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 627.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 651.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 671.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0056479; 0.0001167] | Pa×s | [293.60; 574.48] |
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 | -1.31113e+01 | |||
| Coefficient B | 2.32968e+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. | 293.60 | |||
| Temperature range, max. | 574.48 | |||
| η | 0.0056479 | Pa×s | 293.60 | Calculated Property |
| η | 0.0026350 | Pa×s | 324.81 | Calculated Property |
| η | 0.0014051 | Pa×s | 356.02 | Calculated Property |
| η | 0.0008292 | Pa×s | 387.23 | Calculated Property |
| η | 0.0005294 | Pa×s | 418.43 | Calculated Property |
| η | 0.0003597 | Pa×s | 449.64 | Calculated Property |
| η | 0.0002570 | Pa×s | 480.85 | Calculated Property |
| η | 0.0001913 | Pa×s | 512.06 | Calculated Property |
| η | 0.0001473 | Pa×s | 543.27 | Calculated Property |
| η | 0.0001167 | Pa×s | 574.48 | 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
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