- InChI
- InChI=1S/C18H24O4/c1-14(2)15(3)22-18(20)12-11-17(19)21-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3/b12-11+
- InChI Key
- ZHMLFTLVMAJOHS-VAWYXSNFSA-N
- Formula
- C18H24O4
- SMILES
-
CC(C)C(C)OC(=O)/C=C/C(=O)OCCCc
1ccccc1 - Molecular Weight1
- 304.39
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ΔfusH° | 38.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.306 | Crippen Calculated Property | |
| McVol | 251.300 | ml/mol | McGowan Calculated Property |
| Inp | [2190.00; 2190.00] |
|
|
| Inp | 2190.00 | NIST | |
| Inp | 2190.00 | NIST | |
| Tboil | 621.96 | K | Relay (1.0) Calculated Property |
| Tfus | 310.09 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [726.15; 805.90] | J/mol×K | [757.84; 963.27] |
|
| Cp,gas | 726.15 | J/mol×K | 757.84 | Joback Calculated Property |
| Cp,gas | 742.27 | J/mol×K | 792.08 | Joback Calculated Property |
| Cp,gas | 757.22 | J/mol×K | 826.32 | Joback Calculated Property |
| Cp,gas | 771.01 | J/mol×K | 860.55 | Joback Calculated Property |
| Cp,gas | 783.70 | J/mol×K | 894.79 | Joback Calculated Property |
| Cp,gas | 795.31 | J/mol×K | 929.03 | Joback Calculated Property |
| Cp,gas | 805.90 | J/mol×K | 963.27 | Joback Calculated Property |
| η | [0.0000415; 0.0022615] | Pa×s | [368.62; 757.84] |
|
| η | 0.0022615 | Pa×s | 368.62 | Joback Calculated Property |
| η | 0.0007053 | Pa×s | 433.49 | Joback Calculated Property |
| η | 0.0002979 | Pa×s | 498.36 | Joback Calculated Property |
| η | 0.0001535 | Pa×s | 563.23 | Joback Calculated Property |
| η | 0.0000907 | Pa×s | 628.10 | Joback Calculated Property |
| η | 0.0000591 | Pa×s | 692.97 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 757.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-phenylpropyl 3-methylbut-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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