- InChI
- InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1
- InChI Key
- UGJAEDFOKNAMQD-QXPKXGMISA-N
- Formula
- C17H24O
- SMILES
- C=CC(O)C#CC#CCC=CCCCCCCC
- Molecular Weight1
- 244.37
- CAS
- 81203-57-8
- Other Names
-
- (+)-Falcarinol
- Falcarinol
- 1,9-Heptadecadiene-4,6-diyn-3-ol, (3S,9Z)-
- Heptadeca-1,9-dien-4,6-diyn-3-ol
- 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° | 526.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 235.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 3.847 | Crippen Calculated Property | |
| McVol | 230.460 | ml/mol | McGowan Calculated Property |
| Pc | 1832.54 | kPa | Joback Calculated Property |
| Inp | [1997.00; 1997.00] |
|
|
| Inp | 1997.00 | NIST | |
| Inp | 1997.00 | NIST | |
| Tboil | 698.94 | K | Joback Calculated Property |
| Tc | 894.23 | K | Joback Calculated Property |
| Tfus | 532.53 | K | Joback Calculated Property |
| Vc | 0.885 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [616.46; 698.61] | J/mol×K | [698.94; 894.23] |
|
| Cp,gas | 616.46 | J/mol×K | 698.94 | Joback Calculated Property |
| Cp,gas | 631.94 | J/mol×K | 731.49 | Joback Calculated Property |
| Cp,gas | 646.65 | J/mol×K | 764.04 | Joback Calculated Property |
| Cp,gas | 660.62 | J/mol×K | 796.58 | Joback Calculated Property |
| Cp,gas | 673.91 | J/mol×K | 829.13 | Joback Calculated Property |
| Cp,gas | 686.56 | J/mol×K | 861.68 | Joback Calculated Property |
| Cp,gas | 698.61 | J/mol×K | 894.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S,Z)-Heptadeca-1,9-dien-4,6-diyn-3-ol.
Sources
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