- InChI
- InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12H,1,5-9H2,2-4H3/t12?,15-/m1/s1
- InChI Key
- KUFXJZXMWHNCEH-WPZCJLIBSA-N
- Formula
- C15H22O
- SMILES
-
C=C(C)C1CCC2(C)CCC(=O)C(C)=C2C
1 - 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.
- 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° | 110.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -203.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.62 | 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 | 2133.46 | kPa | Joback Calculated Property |
| Inp | [1710.00; 1752.00] |
|
|
| Inp | 1746.00 | NIST | |
| Inp | 1713.00 | NIST | |
| Inp | 1727.00 | NIST | |
| Inp | 1752.00 | NIST | |
| Inp | 1729.00 | NIST | |
| Inp | 1710.00 | NIST | |
| Inp | 1719.00 | NIST | |
| Inp | 1746.00 | NIST | |
| Inp | 1752.00 | NIST | |
| I | [2283.00; 2348.00] |
|
|
| I | 2328.00 | NIST | |
| I | 2335.00 | NIST | |
| I | 2283.00 | NIST | |
| I | 2348.00 | NIST | |
| I | 2283.00 | NIST | |
| Tboil | 646.90 | K | Joback Calculated Property |
| Tc | 885.57 | K | Joback Calculated Property |
| Tfus | 382.81 | K | Joback Calculated Property |
| Vc | 0.731 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.47; 652.86] | J/mol×K | [646.90; 885.57] |
|
| Cp,gas | 538.47 | J/mol×K | 646.90 | Joback Calculated Property |
| Cp,gas | 560.03 | J/mol×K | 686.68 | Joback Calculated Property |
| Cp,gas | 580.39 | J/mol×K | 726.46 | Joback Calculated Property |
| Cp,gas | 599.70 | J/mol×K | 766.24 | Joback Calculated Property |
| Cp,gas | 618.11 | J/mol×K | 806.02 | Joback Calculated Property |
| Cp,gas | 635.78 | J/mol×K | 845.79 | Joback Calculated Property |
| Cp,gas | 652.86 | J/mol×K | 885.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Cyperone.
Sources
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