- InChI
- InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+
- InChI Key
- PFSTYGCNVAVZBK-JQGMZEBDSA-N
- Formula
- C15H22O
- SMILES
- C=CC(C)=CCC=C(C)CCC=C(C)C=O
- Molecular Weight1
- 218.33
- CAS
- 17909-77-2
- Other Names
-
- «alpha»-Sinensal
- (E,E,E)-2,6,10-trimethyldodeca-2,6,9,11-tetraen-1-al
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.4453 | Relay (... Calculated Property | |
| ΔfG° | 278.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.47 | kJ/mol | Relay (... Calculated Property |
| IE | 8.57 | eV | Relay (... Calculated Property |
| log10WS | -4.35 | Relay (... Calculated Property | |
| logPoct/wat | 4.381 | Crippen Calculated Property | |
| McVol | 206.580 | ml/mol | McGowan Calculated Property |
| Pc | 1778.84 | kPa | Joback Calculated Property |
| Inp | [1720.00; 1774.00] |
|
|
| Inp | 1765.00 | NIST | |
| Inp | 1732.00 | NIST | |
| Inp | 1745.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Inp | 1758.00 | NIST | |
| Inp | 1731.00 | NIST | |
| Inp | 1757.00 | NIST | |
| Inp | 1750.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1753.00 | NIST | |
| Inp | 1741.00 | NIST | |
| Inp | 1759.60 | NIST | |
| Inp | 1764.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Inp | 1748.00 | NIST | |
| Inp | 1754.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1748.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Inp | 1720.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Inp | 1774.00 | NIST | |
| Inp | 1774.00 | NIST | |
| Inp | 1749.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Inp | 1742.00 | NIST | |
| Inp | 1762.00 | NIST | |
| Inp | 1742.00 | NIST | |
| Inp | 1759.60 | NIST | |
| Inp | 1748.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Inp | 1721.00 | NIST | |
| Inp | 1765.00 | NIST | |
| I | [2261.00; 2350.00] |
|
|
| I | 2268.00 | NIST | |
| I | 2304.00 | NIST | |
| I | 2261.00 | NIST | |
| I | 2350.00 | NIST | |
| I | 2268.00 | NIST | |
| I | 2323.00 | NIST | |
| I | 2323.00 | NIST | |
| I | 2287.00 | NIST | |
| I | 2323.00 | NIST | |
| I | 2304.00 | NIST | |
| I | 2304.00 | NIST | |
| I | 2271.00 | NIST | |
| I | 2340.00 | NIST | |
| I | 2323.00 | NIST | |
| I | 2268.00 | NIST | |
| I | 2313.00 | NIST | |
| I | 2268.00 | NIST | |
| I | 2323.00 | NIST | |
| Tboil | 553.68 | K | Relay (... Calculated Property |
| Tc | 749.29 | K | Relay (... Calculated Property |
| Tfus | 255.58 | K | Relay (... Calculated Property |
| Vc | 0.710 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [509.33; 594.92] | J/mol×K | [600.06; 794.25] |
|
| Cp,gas | 509.33 | J/mol×K | 600.06 | Joback Calculated Property |
| Cp,gas | 525.67 | J/mol×K | 632.43 | Joback Calculated Property |
| Cp,gas | 541.10 | J/mol×K | 664.79 | Joback Calculated Property |
| Cp,gas | 555.67 | J/mol×K | 697.16 | Joback Calculated Property |
| Cp,gas | 569.45 | J/mol×K | 729.52 | Joback Calculated Property |
| Cp,gas | 582.51 | J/mol×K | 761.89 | Joback Calculated Property |
| Cp,gas | 594.92 | J/mol×K | 794.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6,9,11-Dodecatetraenal, 2,6,10-trimethyl-, (E,E,E)-.
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