- InChI
- InChI=1S/C11H16O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,7-11H,2,5-6H2,1H3/b4-3-,8-7+,10-9+
- InChI Key
- JVVHINVPEGIIED-IICWQLAKSA-N
- Formula
- C11H16O
- SMILES
- CC/C=C\CC/C=C/C=C/C=O
- Molecular Weight1
- 164.25
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3750 | Relay (1.0) Calculated Property | |
| ΔfG° | 182.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -91.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.044 | Crippen Calculated Property | |
| McVol | 154.520 | ml/mol | McGowan Calculated Property |
| Pc | 2393.53 | kPa | Joback Calculated Property |
| Inp | 1413.00 | NIST | |
| I | [1965.00; 1965.00] |
|
|
| I | 1965.00 | NIST | |
| I | 1965.00 | NIST | |
| Tboil | 491.73 | K | Relay (1.0) Calculated Property |
| Tc | 701.80 | K | Relay (1.0) Calculated Property |
| Tfus | 256.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.77; 408.81] | J/mol×K | [512.42; 702.95] |
|
| Cp,gas | 336.77 | J/mol×K | 512.42 | Joback Calculated Property |
| Cp,gas | 350.60 | J/mol×K | 544.18 | Joback Calculated Property |
| Cp,gas | 363.63 | J/mol×K | 575.93 | Joback Calculated Property |
| Cp,gas | 375.92 | J/mol×K | 607.69 | Joback Calculated Property |
| Cp,gas | 387.51 | J/mol×K | 639.44 | Joback Calculated Property |
| Cp,gas | 398.46 | J/mol×K | 671.20 | Joback Calculated Property |
| Cp,gas | 408.81 | J/mol×K | 702.95 | Joback Calculated Property |
| η | [0.0001637; 0.0041723] | Pa×s | [240.49; 512.42] |
|
| η | 0.0041723 | Pa×s | 240.49 | Joback Calculated Property |
| η | 0.0015854 | Pa×s | 285.81 | Joback Calculated Property |
| η | 0.0007851 | Pa×s | 331.13 | Joback Calculated Property |
| η | 0.0004605 | Pa×s | 376.45 | Joback Calculated Property |
| η | 0.0003029 | Pa×s | 421.78 | Joback Calculated Property |
| η | 0.0002161 | Pa×s | 467.10 | Joback Calculated Property |
| η | 0.0001637 | Pa×s | 512.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E,Z)-2,4,8-undecatrienal.
Sources
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