- 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-KBPWROHVSA-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 (1.0) Calculated Property | |
| ΔfG° | 191.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) 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 | 1577.00 | NIST | |
| I | 2183.00 | NIST | |
| Tboil | 505.20 | K | Relay (1.0) Calculated Property |
| Tc | 708.06 | K | Relay (1.0) Calculated Property |
| Tfus | 333.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.99; 459.09] | J/mol×K | [535.30; 723.57] | 
|
| Cp,gas | 382.99 | J/mol×K | 535.30 | Joback Calculated Property |
| Cp,gas | 397.54 | J/mol×K | 566.68 | Joback Calculated Property |
| Cp,gas | 411.26 | J/mol×K | 598.06 | Joback Calculated Property |
| Cp,gas | 424.23 | J/mol×K | 629.44 | Joback Calculated Property |
| Cp,gas | 436.50 | J/mol×K | 660.82 | Joback Calculated Property |
| Cp,gas | 448.10 | J/mol×K | 692.19 | Joback Calculated Property |
| Cp,gas | 459.09 | J/mol×K | 723.57 | Joback Calculated Property |
| η | [0.0001536; 0.0041052] | Pa×s | [251.76; 535.30] |
|
| η | 0.0041052 | Pa×s | 251.76 | Joback Calculated Property |
| η | 0.0015402 | Pa×s | 299.02 | Joback Calculated Property |
| η | 0.0007551 | Pa×s | 346.27 | Joback Calculated Property |
| η | 0.0004394 | Pa×s | 393.53 | Joback Calculated Property |
| η | 0.0002871 | Pa×s | 440.79 | Joback Calculated Property |
| η | 0.0002037 | Pa×s | 488.04 | Joback Calculated Property |
| η | 0.0001536 | Pa×s | 535.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E,Z)-2,4,6-dodecatrienal.
Sources
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