- InChI
- InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h9-10H,5-8H2,1-4H3/t15-/m0/s1
- InChI Key
- NUIFDRMJKLJEJE-HNNXBMFYSA-N
- Formula
- C15H22O
- SMILES
- CC1=C2C=C(C(C)C)CCC2(C)CCC1=O
- Molecular Weight1
- 218.33
- Other Names
-
- Eudesma-4,6-dien-3-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.
- 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° | 56.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.09 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 4.048 | Crippen Calculated Property | |
| McVol | 193.460 | ml/mol | McGowan Calculated Property |
| Pc | 2163.33 | kPa | Joback Calculated Property |
| Inp | [1745.00; 1764.00] |
|
|
| Inp | 1745.00 | NIST | |
| Inp | 1764.00 | NIST | |
| Inp | 1745.00 | NIST | |
| Tboil | 658.71 | K | Joback Calculated Property |
| Tc | 896.19 | K | Joback Calculated Property |
| Tfus | 401.05 | K | Joback Calculated Property |
| Vc | 0.730 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.29; 646.49] | J/mol×K | [658.71; 896.19] |
|
| Cp,gas | 537.29 | J/mol×K | 658.71 | Joback Calculated Property |
| Cp,gas | 557.70 | J/mol×K | 698.29 | Joback Calculated Property |
| Cp,gas | 577.04 | J/mol×K | 737.87 | Joback Calculated Property |
| Cp,gas | 595.44 | J/mol×K | 777.45 | Joback Calculated Property |
| Cp,gas | 613.05 | J/mol×K | 817.03 | Joback Calculated Property |
| Cp,gas | 630.02 | J/mol×K | 856.61 | Joback Calculated Property |
| Cp,gas | 646.49 | J/mol×K | 896.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eudesma-4,6-dien-3-one («beta»-cyperone).
Sources
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