- InChI
- InChI=1S/C17H22O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11H,2-3,5-9,12H2,1H3/b11-10-
- InChI Key
- UQEBOJRXTNLPKZ-KHPPLWFESA-N
- Formula
- C17H22O
- SMILES
- C=CC(=O)C#CC#CCC=CCCCCCCC
- Molecular Weight1
- 242.36
- CAS
- 4117-11-7
- Other Names
-
- Panaxynone
- 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° | 537.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 280.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.77 | kJ/mol | Joback Calculated Property |
| log10WS | -5.52 | Crippen Calculated Property | |
| logPoct/wat | 4.055 | Crippen Calculated Property | |
| McVol | 226.160 | ml/mol | McGowan Calculated Property |
| Pc | 1775.84 | kPa | Joback Calculated Property |
| Inp | [2018.40; 2018.40] |
|
|
| Inp | 2018.40 | NIST | |
| Inp | 2018.40 | NIST | |
| Tboil | 661.07 | K | Joback Calculated Property |
| Tc | 870.79 | K | Joback Calculated Property |
| Tfus | 536.64 | K | Joback Calculated Property |
| Vc | 0.878 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.82; 662.16] | J/mol×K | [661.07; 870.79] |
|
| Cp,gas | 573.82 | J/mol×K | 661.07 | Joback Calculated Property |
| Cp,gas | 590.67 | J/mol×K | 696.02 | Joback Calculated Property |
| Cp,gas | 606.60 | J/mol×K | 730.98 | Joback Calculated Property |
| Cp,gas | 621.67 | J/mol×K | 765.93 | Joback Calculated Property |
| Cp,gas | 635.91 | J/mol×K | 800.89 | Joback Calculated Property |
| Cp,gas | 649.39 | J/mol×K | 835.84 | Joback Calculated Property |
| Cp,gas | 662.16 | J/mol×K | 870.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Falcarinone.
Sources
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