- InChI
- InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+
- InChI Key
- SFEOKXHPFMOVRM-BQYQJAHWSA-N
- Formula
- C13H20O
- SMILES
- C=C1CCCC(C)(C)C1C=CC(C)=O
- Molecular Weight1
- 192.30
- CAS
- 79-76-5
- Other Names
-
- «gamma»-Ionone
- 4-(2,2-dimethyl-6-methylenecyclohexyl)-3-buten-2-one
- 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° | 74.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.36 | kJ/mol | Joback Calculated Property |
| log10WS | -3.66 | Crippen Calculated Property | |
| logPoct/wat | 3.514 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2235.52 | kPa | Joback Calculated Property |
| Inp | [1340.00; 1347.00] |
|
|
| Inp | 1340.00 | NIST | |
| Inp | 1340.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1347.00 | NIST | |
| Inp | 1340.00 | NIST | |
| I | [1840.00; 1897.00] |
|
|
| I | 1840.00 | NIST | |
| I | 1846.00 | NIST | |
| I | 1846.00 | NIST | |
| I | 1897.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1882.00 | NIST | |
| I | 1882.00 | NIST | |
| Tboil | 569.15 | K | Joback Calculated Property |
| Tc | 785.96 | K | Joback Calculated Property |
| Tfus | 321.84 | K | Joback Calculated Property |
| Vc | 0.663 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.42; 536.20] | J/mol×K | [569.15; 785.96] |
|
| Cp,gas | 437.42 | J/mol×K | 569.15 | Joback Calculated Property |
| Cp,gas | 456.28 | J/mol×K | 605.28 | Joback Calculated Property |
| Cp,gas | 474.02 | J/mol×K | 641.42 | Joback Calculated Property |
| Cp,gas | 490.76 | J/mol×K | 677.55 | Joback Calculated Property |
| Cp,gas | 506.62 | J/mol×K | 713.69 | Joback Calculated Property |
| Cp,gas | 521.73 | J/mol×K | 749.82 | Joback Calculated Property |
| Cp,gas | 536.20 | J/mol×K | 785.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-.
Sources
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