- InChI
- InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7-8,11H,1,9H2,2-6H3/t15-/m1/s1
- InChI Key
- UYBFSLXEYFGANT-OAHLLOKOSA-N
- Formula
- C15H22O
- SMILES
-
C=CC1(C)CC(=O)C(=C(C)C)C=C1C(C
)C - 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° | 114.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -188.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.27 | 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 | 1944.08 | kPa | Joback Calculated Property |
| Inp | [1670.00; 1670.00] |
|
|
| Inp | 1670.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Inp | 1670.00 | NIST | |
| Tboil | 637.11 | K | Joback Calculated Property |
| Tc | 863.01 | K | Joback Calculated Property |
| Tfus | 351.23 | K | Joback Calculated Property |
| Vc | 0.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.15; 633.61] | J/mol×K | [637.11; 863.01] |
|
| Cp,gas | 529.15 | J/mol×K | 637.11 | Joback Calculated Property |
| Cp,gas | 548.65 | J/mol×K | 674.76 | Joback Calculated Property |
| Cp,gas | 567.15 | J/mol×K | 712.41 | Joback Calculated Property |
| Cp,gas | 584.79 | J/mol×K | 750.06 | Joback Calculated Property |
| Cp,gas | 601.66 | J/mol×K | 787.71 | Joback Calculated Property |
| Cp,gas | 617.90 | J/mol×K | 825.36 | Joback Calculated Property |
| Cp,gas | 633.61 | J/mol×K | 863.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Elemenone.
Sources
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