- InChI
- InChI=1S/C17H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h10-11,17-18H,3-9,12H2,1-2H3/b11-10-
- InChI Key
- PROIGOAKZLZHQV-KHPPLWFESA-N
- Formula
- C17H26O
- SMILES
- CCCCCCCC=CCC#CC#CC(O)CC
- Molecular Weight1
- 246.39
- CAS
- 1242413-82-6
- 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° | 438.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 110.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.99 | kJ/mol | Joback Calculated Property |
| log10WS | -5.76 | Crippen Calculated Property | |
| logPoct/wat | 4.071 | Crippen Calculated Property | |
| McVol | 234.760 | ml/mol | McGowan Calculated Property |
| Pc | 1768.38 | kPa | Joback Calculated Property |
| Inp | 1993.80 | NIST | |
| Tboil | 702.26 | K | Joback Calculated Property |
| Tc | 894.78 | K | Joback Calculated Property |
| Tfus | 534.29 | K | Joback Calculated Property |
| Vc | 0.904 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.39; 725.59] | J/mol×K | [702.26; 894.78] | 
|
| Cp,gas | 640.39 | J/mol×K | 702.26 | Joback Calculated Property |
| Cp,gas | 656.42 | J/mol×K | 734.35 | Joback Calculated Property |
| Cp,gas | 671.66 | J/mol×K | 766.43 | Joback Calculated Property |
| Cp,gas | 686.15 | J/mol×K | 798.52 | Joback Calculated Property |
| Cp,gas | 699.95 | J/mol×K | 830.61 | Joback Calculated Property |
| Cp,gas | 713.08 | J/mol×K | 862.70 | Joback Calculated Property |
| Cp,gas | 725.59 | J/mol×K | 894.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Panaxjapyne A.
Sources
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