- InChI
- InChI=1S/C17H30O4/c1-5-7-10-15(6-2)21-17(19)12-11-16(18)20-13-8-9-14(3)4/h11-12,14-15H,5-10,13H2,1-4H3/b12-11+
- InChI Key
- KTAIWIVXNMHJFR-VAWYXSNFSA-N
- Formula
- C17H30O4
- SMILES
-
CCCCC(CC)OC(=O)C=CC(=O)OCCCC(C
)C - Molecular Weight1
- 298.42
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -946.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.29 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.034 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Inp | [1936.00; 1936.00] |
|
|
| Inp | 1936.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Tboil | 576.54 | K | Relay (1.0) Calculated Property |
| Tfus | 237.51 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [753.70; 843.17] | J/mol×K | [708.28; 888.14] |
|
| Cp,gas | 753.70 | J/mol×K | 708.28 | Joback Calculated Property |
| Cp,gas | 770.92 | J/mol×K | 738.26 | Joback Calculated Property |
| Cp,gas | 787.19 | J/mol×K | 768.23 | Joback Calculated Property |
| Cp,gas | 802.53 | J/mol×K | 798.21 | Joback Calculated Property |
| Cp,gas | 816.96 | J/mol×K | 828.19 | Joback Calculated Property |
| Cp,gas | 830.50 | J/mol×K | 858.16 | Joback Calculated Property |
| Cp,gas | 843.17 | J/mol×K | 888.14 | Joback Calculated Property |
| η | [0.0000481; 0.0039767] | Pa×s | [330.93; 708.28] |
|
| η | 0.0039767 | Pa×s | 330.93 | Joback Calculated Property |
| η | 0.0010587 | Pa×s | 393.82 | Joback Calculated Property |
| η | 0.0004058 | Pa×s | 456.71 | Joback Calculated Property |
| η | 0.0001962 | Pa×s | 519.61 | Joback Calculated Property |
| η | 0.0001110 | Pa×s | 582.50 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 645.39 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 708.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-heptyl isohexyl 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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