- InChI
- InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+
- InChI Key
- OQWKEEOHDMUXEO-BQYQJAHWSA-N
- Formula
- C17H24O3
- SMILES
- CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1
- Molecular Weight1
- 276.37
- CAS
- 555-66-8
- Other Names
-
- 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-
- Shogaol
- (6)-Shogaol
- 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).
- 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.
- 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° | -113.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.50 | kJ/mol | Joback Calculated Property |
| log10WS | -4.42 | Crippen Calculated Property | |
| logPoct/wat | 4.039 | Crippen Calculated Property | |
| McVol | 235.640 | ml/mol | McGowan Calculated Property |
| Pc | 1911.91 | kPa | Joback Calculated Property |
| Inp | [2273.00; 2294.00] |
|
|
| Inp | 2294.00 | NIST | |
| Inp | 2273.00 | NIST | |
| Inp | 2273.00 | NIST | |
| Inp | 2294.00 | NIST | |
| Tboil | 781.09 | K | Joback Calculated Property |
| Tc | 990.84 | K | Joback Calculated Property |
| Tfus | 499.09 | K | Joback Calculated Property |
| Vc | 0.850 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [689.80; 771.06] | J/mol×K | [781.09; 990.84] |
|
| Cp,gas | 689.80 | J/mol×K | 781.09 | Joback Calculated Property |
| Cp,gas | 705.04 | J/mol×K | 816.05 | Joback Calculated Property |
| Cp,gas | 719.49 | J/mol×K | 851.01 | Joback Calculated Property |
| Cp,gas | 733.24 | J/mol×K | 885.96 | Joback Calculated Property |
| Cp,gas | 746.37 | J/mol×K | 920.92 | Joback Calculated Property |
| Cp,gas | 758.95 | J/mol×K | 955.88 | Joback Calculated Property |
| Cp,gas | 771.06 | J/mol×K | 990.84 | Joback Calculated Property |
| η | [0.0000059; 0.0001845] | Pa×s | [499.09; 781.09] |
|
| η | 0.0001845 | Pa×s | 499.09 | Joback Calculated Property |
| η | 0.0000813 | Pa×s | 546.09 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 593.09 | Joback Calculated Property |
| η | 0.0000227 | Pa×s | 640.09 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 687.09 | Joback Calculated Property |
| η | 0.0000088 | Pa×s | 734.09 | Joback Calculated Property |
| η | 0.0000059 | Pa×s | 781.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Hydroxy-3-methoxyphenyl)dec-4-en-3-one.
Sources
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