- InChI
- InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h11-12,14H,4-10,13H2,1-3H3/b12-11-
- InChI Key
- PZLCXFWZZXEVFQ-QXMHVHEDSA-N
- Formula
- C15H28O2
- SMILES
- CCCCCCCCC=CCC(=O)OC(C)C
- Molecular Weight1
- 240.38
- 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).
- I : 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -614.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.635 | Crippen Calculated Property | |
| McVol | 225.350 | ml/mol | McGowan Calculated Property |
| I | [1877.00; 1877.00] |
|
|
| I | 1877.00 | NIST | |
| I | 1877.00 | NIST | |
| Tboil | 513.62 | K | Relay (1.0) Calculated Property |
| Tc | 707.38 | K | Relay (1.0) Calculated Property |
| Tfus | 231.68 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [593.22; 687.03] | J/mol×K | [604.74; 777.98] |
|
| Cp,gas | 593.22 | J/mol×K | 604.74 | Joback Calculated Property |
| Cp,gas | 610.80 | J/mol×K | 633.61 | Joback Calculated Property |
| Cp,gas | 627.58 | J/mol×K | 662.49 | Joback Calculated Property |
| Cp,gas | 643.57 | J/mol×K | 691.36 | Joback Calculated Property |
| Cp,gas | 658.79 | J/mol×K | 720.23 | Joback Calculated Property |
| Cp,gas | 673.27 | J/mol×K | 749.10 | Joback Calculated Property |
| Cp,gas | 687.03 | J/mol×K | 777.98 | Joback Calculated Property |
| η | [0.0000995; 0.0057112] | Pa×s | [281.06; 604.74] |
|
| η | 0.0057112 | Pa×s | 281.06 | Joback Calculated Property |
| η | 0.0016888 | Pa×s | 335.01 | Joback Calculated Property |
| η | 0.0007002 | Pa×s | 388.95 | Joback Calculated Property |
| η | 0.0003597 | Pa×s | 442.90 | Joback Calculated Property |
| η | 0.0002136 | Pa×s | 496.85 | Joback Calculated Property |
| η | 0.0001404 | Pa×s | 550.79 | Joback Calculated Property |
| η | 0.0000995 | Pa×s | 604.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl (Z)-3-dodecenoate.
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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