- InChI
- InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h10-13H,3-9,14H2,1-2H3/b11-10+,13-12-
- InChI Key
- UQEHWMHLQKAMSZ-MRBUWEIXSA-N
- Formula
- C15H26O2
- SMILES
- CCCCCCCC=CC=CC(=O)OCCC
- Molecular Weight1
- 238.37
- 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).
- Pc : Critical Pressure (kPa).
- 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 | -499.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.412 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1589.81 | kPa | Joback Calculated Property |
| I | [1917.00; 1917.00] |
|
|
| I | 1917.00 | NIST | |
| I | 1917.00 | NIST | |
| Tboil | 542.51 | K | Relay (1.0) Calculated Property |
| Tc | 719.96 | K | Relay (1.0) Calculated Property |
| Tfus | 291.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [580.18; 668.70] | J/mol×K | [627.21; 806.06] |
|
| Cp,gas | 580.18 | J/mol×K | 627.21 | Joback Calculated Property |
| Cp,gas | 596.78 | J/mol×K | 657.02 | Joback Calculated Property |
| Cp,gas | 612.60 | J/mol×K | 686.83 | Joback Calculated Property |
| Cp,gas | 627.67 | J/mol×K | 716.64 | Joback Calculated Property |
| Cp,gas | 642.02 | J/mol×K | 746.45 | Joback Calculated Property |
| Cp,gas | 655.69 | J/mol×K | 776.25 | Joback Calculated Property |
| Cp,gas | 668.70 | J/mol×K | 806.06 | Joback Calculated Property |
| η | [0.0001006; 0.0022608] | Pa×s | [320.81; 627.21] |
|
| η | 0.0022608 | Pa×s | 320.81 | Joback Calculated Property |
| η | 0.0009427 | Pa×s | 371.88 | Joback Calculated Property |
| η | 0.0004855 | Pa×s | 422.94 | Joback Calculated Property |
| η | 0.0002885 | Pa×s | 474.01 | Joback Calculated Property |
| η | 0.0001897 | Pa×s | 525.08 | Joback Calculated Property |
| η | 0.0001343 | Pa×s | 576.14 | Joback Calculated Property |
| η | 0.0001006 | Pa×s | 627.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ethyl (Z)-2,(E)-6-dodecadienoate.
Sources
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