- InChI
- InChI=1S/C12H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-12H,2-5H2,1H3/b7-6+,9-8+,11-10+
- InChI Key
- IZNAXSQBWJPYHG-OBWVEWQSSA-N
- Formula
- C12H18O
- SMILES
- CCCCCC=CC=CC=CC=O
- Molecular Weight1
- 178.27
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 | 0.4608 | Relay (... Calculated Property | |
| ΔfG° | 191.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.86 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -3.87 | Relay (... Calculated Property | |
| logPoct/wat | 3.434 | Crippen Calculated Property | |
| McVol | 168.610 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Inp | [1600.00; 1600.00] |
|
|
| Inp | 1600.00 | NIST | |
| Inp | 1600.00 | NIST | |
| I | [2216.00; 2216.00] |
|
|
| I | 2216.00 | NIST | |
| I | 2216.00 | NIST | |
| Tboil | 505.20 | K | Relay (... Calculated Property |
| Tc | 705.30 | K | Relay (... Calculated Property |
| Tfus | 341.06 | K | Relay (... Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.90; 459.00] | J/mol×K | [535.10; 723.30] |
|
| Cp,gas | 382.90 | J/mol×K | 535.10 | Joback Calculated Property |
| Cp,gas | 397.44 | J/mol×K | 566.47 | Joback Calculated Property |
| Cp,gas | 411.17 | J/mol×K | 597.83 | Joback Calculated Property |
| Cp,gas | 424.14 | J/mol×K | 629.20 | Joback Calculated Property |
| Cp,gas | 436.40 | J/mol×K | 660.57 | Joback Calculated Property |
| Cp,gas | 448.00 | J/mol×K | 691.94 | Joback Calculated Property |
| Cp,gas | 459.00 | J/mol×K | 723.30 | Joback Calculated Property |
| η | [0.0001538; 0.0041052] | Pa×s | [251.76; 535.10] |
|
| η | 0.0041052 | Pa×s | 251.76 | Joback Calculated Property |
| η | 0.0015411 | Pa×s | 298.98 | Joback Calculated Property |
| η | 0.0007558 | Pa×s | 346.21 | Joback Calculated Property |
| η | 0.0004398 | Pa×s | 393.43 | Joback Calculated Property |
| η | 0.0002874 | Pa×s | 440.65 | Joback Calculated Property |
| η | 0.0002039 | Pa×s | 487.88 | Joback Calculated Property |
| η | 0.0001538 | Pa×s | 535.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E,E)-2,4,6-dodecatrienal.
Sources
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