- InChI
- InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,10-12H,5-7,9H2,1-4H3/t11-,12-,15+/m0/s1
- InChI Key
- GQHRRBIPGXYEFT-SLEUVZQESA-N
- Formula
- C15H24O
- SMILES
- CC(C)C1CCC2=CC(=O)CC(C)C2(C)C1
- Molecular Weight1
- 220.35
- CAS
- 38427-78-0
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4025 | Relay (... Calculated Property | |
| ΔfG° | 30.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.14 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.60 | kJ/mol | Relay (... Calculated Property |
| IE | 8.90 | eV | Relay (... Calculated Property |
| log10WS | -4.26 | Relay (... Calculated Property | |
| logPoct/wat | 3.984 | Crippen Calculated Property | |
| McVol | 197.760 | ml/mol | McGowan Calculated Property |
| Pc | 2025.41 | kPa | Joback Calculated Property |
| Inp | 1814.00 | NIST | |
| I | 2515.00 | NIST | |
| Tboil | 563.84 | K | Relay (... Calculated Property |
| Tc | 792.16 | K | Relay (... Calculated Property |
| Tfus | 343.91 | K | Relay (... Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.37; 684.70] | J/mol×K | [640.25; 873.95] | 
|
| Cp,gas | 563.37 | J/mol×K | 640.25 | Joback Calculated Property |
| Cp,gas | 586.37 | J/mol×K | 679.20 | Joback Calculated Property |
| Cp,gas | 608.08 | J/mol×K | 718.15 | Joback Calculated Property |
| Cp,gas | 628.63 | J/mol×K | 757.10 | Joback Calculated Property |
| Cp,gas | 648.16 | J/mol×K | 796.05 | Joback Calculated Property |
| Cp,gas | 666.81 | J/mol×K | 835.00 | Joback Calculated Property |
| Cp,gas | 684.70 | J/mol×K | 873.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-nootkatone.
Sources
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