- InChI
- InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3
- InChI Key
- CZNLTCTYLMYLHL-UHFFFAOYSA-N
- Formula
- C17H26O3
- SMILES
- CCCCCCCC(=O)CCc1ccc(O)c(OC)c1
- Molecular Weight1
- 278.39
- CAS
- 27113-22-0
- Other Names
-
- Heptyl 4-hydroxy-3-methoxyphenethyl ketone
- 1-(4-Hydroxy-3-methoxyphenyl)decan-3-one
- Paradol
- [6]-Paradol
- [6]-Gingerone
- 1-(4-hydroxy-3-methoxyphenyl)decan-5-one
- 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.
- 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° | -193.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.54 | kJ/mol | Joback Calculated Property |
| log10WS | -4.57 | Crippen Calculated Property | |
| logPoct/wat | 4.263 | Crippen Calculated Property | |
| McVol | 239.940 | ml/mol | McGowan Calculated Property |
| Pc | 1827.85 | kPa | Joback Calculated Property |
| Inp | [2218.00; 2232.00] |
|
|
| Inp | 2232.00 | NIST | |
| Inp | 2218.00 | NIST | |
| Inp | 2218.00 | NIST | |
| Inp | 2232.00 | NIST | |
| I | [3506.00; 3506.00] |
|
|
| I | 3506.00 | NIST | |
| I | 3506.00 | NIST | |
| Tboil | 776.93 | K | Joback Calculated Property |
| Tc | 980.70 | K | Joback Calculated Property |
| Tfus | 504.17 | K | Joback Calculated Property |
| Vc | 0.870 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [714.92; 798.05] | J/mol×K | [776.93; 980.70] |
|
| Cp,gas | 714.92 | J/mol×K | 776.93 | Joback Calculated Property |
| Cp,gas | 730.63 | J/mol×K | 810.89 | Joback Calculated Property |
| Cp,gas | 745.52 | J/mol×K | 844.85 | Joback Calculated Property |
| Cp,gas | 759.64 | J/mol×K | 878.81 | Joback Calculated Property |
| Cp,gas | 773.06 | J/mol×K | 912.78 | Joback Calculated Property |
| Cp,gas | 785.84 | J/mol×K | 946.74 | Joback Calculated Property |
| Cp,gas | 798.05 | J/mol×K | 980.70 | Joback Calculated Property |
| η | [0.0000069; 0.0001929] | Pa×s | [504.17; 776.93] |
|
| η | 0.0001929 | Pa×s | 504.17 | Joback Calculated Property |
| η | 0.0000882 | Pa×s | 549.63 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 595.09 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 640.55 | Joback Calculated Property |
| η | 0.0000157 | Pa×s | 686.01 | Joback Calculated Property |
| η | 0.0000102 | Pa×s | 731.47 | Joback Calculated Property |
| η | 0.0000069 | Pa×s | 776.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-.
Sources
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