- InChI
- InChI=1S/C24H42O4/c1-4-6-8-10-11-12-13-14-15-17-21-27-23(25)19-20-24(26)28-22(3)18-16-9-7-5-2/h15,17,19-20,22H,4-14,16,18,21H2,1-3H3/b17-15+,20-19+
- InChI Key
- QWXTZTGALMGXHB-DLTVEUPUSA-N
- Formula
- C24H42O4
- SMILES
-
CCCCCCCCC/C=C/COC(=O)/C=C/C(=O
)OC(C)CCCCCC - Molecular Weight1
- 394.60
- 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° | 63.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.95 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.685 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Inp | [2691.00; 2691.00] |
|
|
| Inp | 2691.00 | NIST | |
| Inp | 2691.00 | NIST | |
| Tboil | 626.29 | K | Relay (1.0) Calculated Property |
| Tc | 816.28 | K | Relay (1.0) Calculated Property |
| Tfus | 272.53 | 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 | [1146.52; 1242.34] | J/mol×K | [873.04; 1069.02] |
|
| Cp,gas | 1146.52 | J/mol×K | 873.04 | Joback Calculated Property |
| Cp,gas | 1165.36 | J/mol×K | 905.70 | Joback Calculated Property |
| Cp,gas | 1182.99 | J/mol×K | 938.37 | Joback Calculated Property |
| Cp,gas | 1199.44 | J/mol×K | 971.03 | Joback Calculated Property |
| Cp,gas | 1214.78 | J/mol×K | 1003.69 | Joback Calculated Property |
| Cp,gas | 1229.06 | J/mol×K | 1036.35 | Joback Calculated Property |
| Cp,gas | 1242.34 | J/mol×K | 1069.02 | Joback Calculated Property |
| η | [0.0000158; 0.0009851] | Pa×s | [419.74; 873.04] |
|
| η | 0.0009851 | Pa×s | 419.74 | Joback Calculated Property |
| η | 0.0002926 | Pa×s | 495.29 | Joback Calculated Property |
| η | 0.0001199 | Pa×s | 570.84 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 646.39 | Joback Calculated Property |
| η | 0.0000352 | Pa×s | 721.94 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 797.49 | Joback Calculated Property |
| η | 0.0000158 | Pa×s | 873.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-octyl 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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