- InChI
- InChI=1S/C15H22O/c1-12(2)5-4-6-13(3)15-9-7-14(11-16)8-10-15/h5,7,9,11,13H,4,6,8,10H2,1-3H3
- InChI Key
- IAYOZXCTYXYCHP-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
- CC(C)=CCCC(C)C1=CC=C(C=O)CC1
- Molecular Weight1
- 218.33
- 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.
- 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° | 117.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.00 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 4.214 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Inp | [1746.00; 1775.00] |
|
|
| Inp | 1775.00 | NIST | |
| Inp | 1766.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Tboil | 627.36 | K | Joback Calculated Property |
| Tc | 836.50 | K | Joback Calculated Property |
| Tfus | 304.95 | K | Joback Calculated Property |
| Vc | 0.773 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [519.46; 611.63] | J/mol×K | [627.36; 836.50] |
|
| Cp,gas | 519.46 | J/mol×K | 627.36 | Joback Calculated Property |
| Cp,gas | 537.27 | J/mol×K | 662.22 | Joback Calculated Property |
| Cp,gas | 554.04 | J/mol×K | 697.07 | Joback Calculated Property |
| Cp,gas | 569.80 | J/mol×K | 731.93 | Joback Calculated Property |
| Cp,gas | 584.62 | J/mol×K | 766.79 | Joback Calculated Property |
| Cp,gas | 598.55 | J/mol×K | 801.64 | Joback Calculated Property |
| Cp,gas | 611.63 | J/mol×K | 836.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-«gamma»-curcumen-15-al.
Sources
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