- InChI
- InChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+
- InChI Key
- FXCYGAGBPZQRJE-ZHACJKMWSA-N
- Formula
- C16H24O
- SMILES
- C=CCCC(=O)C=CC1C(C)=CCCC1(C)C
- Molecular Weight1
- 232.36
- Other Names
-
- Allyl ionone I
- 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° | 154.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.17 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 4.460 | Crippen Calculated Property | |
| McVol | 214.110 | ml/mol | McGowan Calculated Property |
| Pc | 1796.98 | kPa | Joback Calculated Property |
| Inp | [1605.00; 1605.00] |
|
|
| Inp | 1605.00 | NIST | |
| Inp | 1605.00 | NIST | |
| I | [1993.00; 1993.00] |
|
|
| I | 1993.00 | NIST | |
| I | 1993.00 | NIST | |
| Tboil | 639.45 | K | Joback Calculated Property |
| Tc | 850.87 | K | Joback Calculated Property |
| Tfus | 353.49 | K | Joback Calculated Property |
| Vc | 0.815 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [572.70; 676.26] | J/mol×K | [639.45; 850.87] |
|
| Cp,gas | 572.70 | J/mol×K | 639.45 | Joback Calculated Property |
| Cp,gas | 592.10 | J/mol×K | 674.69 | Joback Calculated Property |
| Cp,gas | 610.47 | J/mol×K | 709.92 | Joback Calculated Property |
| Cp,gas | 627.94 | J/mol×K | 745.16 | Joback Calculated Property |
| Cp,gas | 644.64 | J/mol×K | 780.40 | Joback Calculated Property |
| Cp,gas | 660.70 | J/mol×K | 815.63 | Joback Calculated Property |
| Cp,gas | 676.26 | J/mol×K | 850.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Allyl ionone 1.
Sources
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