- InChI
- InChI=1S/C19H34O4/c1-5-8-10-12-16(4)22-18(20)14-15-19(21)23-17(11-7-3)13-9-6-2/h14-17H,5-13H2,1-4H3/b15-14+
- InChI Key
- WYDVFLIZPNRWNR-CCEZHUSRSA-N
- Formula
- C19H34O4
- SMILES
-
CCCCCC(C)OC(=O)C=CC(=O)OC(CCC)
CCCC - Molecular Weight1
- 326.47
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -983.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.957 | Crippen Calculated Property | |
| McVol | 289.150 | ml/mol | McGowan Calculated Property |
| Inp | [2066.00; 2066.00] |
|
|
| Inp | 2066.00 | NIST | |
| Inp | 2066.00 | NIST | |
| Tboil | 577.86 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [869.40; 961.39] | J/mol×K | [754.04; 934.88] |
|
| Cp,gas | 869.40 | J/mol×K | 754.04 | Joback Calculated Property |
| Cp,gas | 887.22 | J/mol×K | 784.18 | Joback Calculated Property |
| Cp,gas | 904.01 | J/mol×K | 814.32 | Joback Calculated Property |
| Cp,gas | 919.80 | J/mol×K | 844.46 | Joback Calculated Property |
| Cp,gas | 934.61 | J/mol×K | 874.60 | Joback Calculated Property |
| Cp,gas | 948.47 | J/mol×K | 904.74 | Joback Calculated Property |
| Cp,gas | 961.39 | J/mol×K | 934.88 | Joback Calculated Property |
| η | [0.0000359; 0.0029348] | Pa×s | [353.47; 754.04] |
|
| η | 0.0029348 | Pa×s | 353.47 | Joback Calculated Property |
| η | 0.0007861 | Pa×s | 420.23 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 486.99 | Joback Calculated Property |
| η | 0.0001463 | Pa×s | 553.75 | Joback Calculated Property |
| η | 0.0000828 | Pa×s | 620.52 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 687.28 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 754.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-octyl hept-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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