- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [426.59; 986.27] | 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 | 1.88890e+01 | |||
| Coefficient B | 1.73108e+00 | |||
| Coefficient C | -9.10800e-04 | |||
| Coefficient D | 1.47100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 426.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 523.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 611.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 689.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 758.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 818.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 871.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 916.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 954.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 986.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029348; 0.0000648] | Pa×s | [353.47; 654.41] |
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 | -1.41226e+01 | |||
| Coefficient B | 2.93080e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 353.47 | |||
| Temperature range, max. | 654.41 | |||
| η | 0.0029348 | Pa×s | 353.47 | Calculated Property |
| η | 0.0014334 | Pa×s | 386.91 | Calculated Property |
| η | 0.0007846 | Pa×s | 420.35 | Calculated Property |
| η | 0.0004694 | Pa×s | 453.78 | Calculated Property |
| η | 0.0003013 | Pa×s | 487.22 | Calculated Property |
| η | 0.0002048 | Pa×s | 520.66 | Calculated Property |
| η | 0.0001458 | Pa×s | 554.10 | Calculated Property |
| η | 0.0001079 | Pa×s | 587.54 | Calculated Property |
| η | 0.0000825 | Pa×s | 620.98 | Calculated Property |
| η | 0.0000648 | Pa×s | 654.41 | 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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