- InChI
- InChI=1S/C22H38O4/c1-4-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-19-20(5-2)6-3/h14-17,20H,4-13,18-19H2,1-3H3/b15-14+,17-16+
- InChI Key
- DITXYFPIAZACAO-JLXBFWJWSA-N
- Formula
- C22H38O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)C=CC(=O)OCC
(CC)CC - Molecular Weight1
- 366.53
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 58.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.83 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.762 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Inp | [2544.00; 2544.00] |
|
|
| Inp | 2544.00 | NIST | |
| Inp | 2544.00 | NIST | |
| Tboil | 619.69 | K | Relay (1.0) Calculated Property |
| Tc | 804.62 | K | Relay (1.0) Calculated Property |
| Tfus | 241.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [1023.59; 1116.35] | J/mol×K | [827.28; 1015.83] |
|
| Cp,gas | 1023.59 | J/mol×K | 827.28 | Joback Calculated Property |
| Cp,gas | 1041.67 | J/mol×K | 858.71 | Joback Calculated Property |
| Cp,gas | 1058.65 | J/mol×K | 890.13 | Joback Calculated Property |
| Cp,gas | 1074.56 | J/mol×K | 921.56 | Joback Calculated Property |
| Cp,gas | 1089.45 | J/mol×K | 952.98 | Joback Calculated Property |
| Cp,gas | 1103.37 | J/mol×K | 984.41 | Joback Calculated Property |
| Cp,gas | 1116.35 | J/mol×K | 1015.83 | Joback Calculated Property |
| η | [0.0000215; 0.0013320] | Pa×s | [397.20; 827.28] |
|
| η | 0.0013320 | Pa×s | 397.20 | Joback Calculated Property |
| η | 0.0003960 | Pa×s | 468.88 | Joback Calculated Property |
| η | 0.0001624 | Pa×s | 540.56 | Joback Calculated Property |
| η | 0.0000821 | Pa×s | 612.24 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 683.92 | Joback Calculated Property |
| η | 0.0000309 | Pa×s | 755.60 | Joback Calculated Property |
| η | 0.0000215 | Pa×s | 827.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-ethylbutyl dodec-2-en-1-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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