- InChI
- InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-14H,3,6,8,10H2,1-2,4H3
- InChI Key
- JIJQKFPGBBEJNF-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
- C=C1C=CC(C(C)CC(=O)C=C(C)C)CC1
- Molecular Weight1
- 218.33
- CAS
- 87440-60-6
- Other Names
-
- 2-Hepten-4-one,2-methyl-6-[(1S)-4-methylene- 2-cyclohexen-1-yl]-, (6S)-
- «beta»-Turmerone
- 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° | 123.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.35 | Crippen Calculated Property | |
| logPoct/wat | 4.070 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | [1632.00; 1701.00] |
|
|
| Inp | 1655.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1681.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Inp | 1647.00 | NIST | |
| Inp | 1701.00 | NIST | |
| Inp | 1680.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1632.00 | NIST | |
| Tboil | 617.94 | K | Joback Calculated Property |
| Tc | 829.53 | K | Joback Calculated Property |
| Tfus | 296.52 | K | Joback Calculated Property |
| Vc | 0.759 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.32; 618.63] | J/mol×K | [617.94; 829.53] |
|
| Cp,gas | 520.32 | J/mol×K | 617.94 | Joback Calculated Property |
| Cp,gas | 539.42 | J/mol×K | 653.20 | Joback Calculated Property |
| Cp,gas | 557.36 | J/mol×K | 688.47 | Joback Calculated Property |
| Cp,gas | 574.21 | J/mol×K | 723.73 | Joback Calculated Property |
| Cp,gas | 590.00 | J/mol×K | 759.00 | Joback Calculated Property |
| Cp,gas | 604.79 | J/mol×K | 794.26 | Joback Calculated Property |
| Cp,gas | 618.63 | J/mol×K | 829.53 | Joback Calculated Property |
Similar Compounds
![(6S)-2-Methyl-6-[(1R)-4-methylenecyclohex-2-enyl]hept-2-ene.](data:image/png;base64,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)
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