- InChI
- InChI=1S/C15H20O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,9,12,17H,8H2,1-4H3
- InChI Key
- OSIFVLKZUWRNBN-UHFFFAOYSA-N
- Formula
- C15H20O2
- SMILES
-
CC(C)=CC(=O)CC(C)c1ccc(C)c(O)c
1 - Molecular Weight1
- 232.32
- CAS
- 139085-16-8
- Other Names
-
- Turmeronol A
- 2-Hepten-4-one, 6-(3-hydroxy-4-methylphenyl)-2-methyl-
- 2-Hepten-4-one, 2-methyl-6-(3-hydroxy-4-methylphenyl)
- 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.
- 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 | 0.6661 | Relay (... Calculated Property | |
| ΔfG° | -36.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.28 | kJ/mol | Relay (... Calculated Property |
| IE | 7.91 | eV | Relay (... Calculated Property |
| log10WS | -3.26 | Relay (... Calculated Property | |
| logPoct/wat | 3.730 | Crippen Calculated Property | |
| McVol | 201.590 | ml/mol | McGowan Calculated Property |
| Pc | 2345.09 | kPa | Joback Calculated Property |
| Inp | [1733.00; 1733.00] |
|
|
| Inp | 1733.00 | NIST | |
| Inp | 1733.00 | NIST | |
| Tboil | 558.18 | K | Relay (... Calculated Property |
| Tc | 811.50 | K | Relay (... Calculated Property |
| Tfus | 373.19 | K | Relay (... Calculated Property |
| Vc | 0.700 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.78; 633.43] | J/mol×K | [712.35; 936.34] |
|
| Cp,gas | 553.78 | J/mol×K | 712.35 | Joback Calculated Property |
| Cp,gas | 568.91 | J/mol×K | 749.68 | Joback Calculated Property |
| Cp,gas | 583.16 | J/mol×K | 787.01 | Joback Calculated Property |
| Cp,gas | 596.63 | J/mol×K | 824.35 | Joback Calculated Property |
| Cp,gas | 609.43 | J/mol×K | 861.68 | Joback Calculated Property |
| Cp,gas | 621.66 | J/mol×K | 899.01 | Joback Calculated Property |
| Cp,gas | 633.43 | J/mol×K | 936.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-(3-Hydroxy-4-methylphenyl)-2-methylhept-2-en-4-one.
Sources
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