- InChI
- InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+
- InChI Key
- NOPLRNXKHZRXHT-YFVJMOTDSA-N
- Formula
- C15H22O
- SMILES
- C=CC(=C)CCC=C(C)CCC=C(C)C=O
- Molecular Weight1
- 218.33
- CAS
- 60066-88-8
- Other Names
-
- 2,6-dimethyl-10-methylenedodeca-2,6,11-trien-1-al
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 286.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 17.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.52 | kJ/mol | Joback Calculated Property |
| log10WS | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 4.381 | Crippen Calculated Property | |
| McVol | 206.580 | ml/mol | McGowan Calculated Property |
| Pc | 1763.93 | kPa | Joback Calculated Property |
| Inp | [1658.00; 1707.00] |
|
|
| Inp | 1693.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1677.00 | NIST | |
| Inp | 1707.00 | NIST | |
| Inp | 1661.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1706.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1668.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | 1702.50 | NIST | |
| Inp | 1706.00 | NIST | |
| Inp | 1694.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1669.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1672.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1702.50 | NIST | |
| Inp | 1694.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | 1671.00 | NIST | |
| I | [2189.00; 2254.00] |
|
|
| I | 2250.00 | NIST | |
| I | 2238.00 | NIST | |
| I | 2200.00 | NIST | |
| I | 2249.00 | NIST | |
| I | 2254.00 | NIST | |
| I | 2242.00 | NIST | |
| I | 2200.00 | NIST | |
| I | 2249.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2244.00 | NIST | |
| I | 2239.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2225.00 | NIST | |
| I | Outlier 2189.00 | NIST | |
| I | 2251.00 | NIST | |
| I | 2251.00 | NIST | |
| I | 2228.00 | NIST | |
| I | 2249.00 | NIST | |
| I | 2249.00 | NIST | |
| I | 2238.00 | NIST | |
| I | 2203.00 | NIST | |
| I | 2237.00 | NIST | |
| I | 2225.00 | NIST | |
| I | 2237.00 | NIST | |
| I | 2200.00 | NIST | |
| I | 2209.00 | NIST | |
| I | 2251.00 | NIST | |
| I | 2250.00 | NIST | |
| I | 2242.00 | NIST | |
| I | 2239.00 | NIST | |
| I | 2228.00 | NIST | |
| I | 2237.00 | NIST | |
| Tboil | 592.58 | K | Joback Calculated Property |
| Tc | 782.72 | K | Joback Calculated Property |
| Tfus | 245.25 | K | Joback Calculated Property |
| Vc | 0.818 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.03; 593.36] | J/mol×K | [592.58; 782.72] |
|
| Cp,gas | 508.03 | J/mol×K | 592.58 | Joback Calculated Property |
| Cp,gas | 524.29 | J/mol×K | 624.27 | Joback Calculated Property |
| Cp,gas | 539.65 | J/mol×K | 655.96 | Joback Calculated Property |
| Cp,gas | 554.19 | J/mol×K | 687.65 | Joback Calculated Property |
| Cp,gas | 567.94 | J/mol×K | 719.34 | Joback Calculated Property |
| Cp,gas | 580.98 | J/mol×K | 751.03 | Joback Calculated Property |
| Cp,gas | 593.36 | J/mol×K | 782.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Sinensal.
Sources
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that the value is more than 2 standard deviations away from the
property mean.