- InChI
- InChI=1S/C15H24O2/c1-6-15(5,16)8-7-14-12(4)10-13(17-14)9-11(2)3/h6,9,13-14,16H,1,4,7-8,10H2,2-3,5H3
- InChI Key
- LJPFBTWRZZGKFP-UHFFFAOYSA-N
- Formula
- C15H24O2
- SMILES
- C=CC(C)(O)CCC1OC(C=C(C)C)CC1=C
- Molecular Weight1
- 236.35
- 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 | 0.6161 | Relay (... Calculated Property | |
| ΔfG° | 96.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.61 | kJ/mol | Relay (... Calculated Property |
| IE | 8.57 | eV | Relay (... Calculated Property |
| log10WS | -2.21 | Relay (... Calculated Property | |
| logPoct/wat | 3.383 | Crippen Calculated Property | |
| McVol | 210.190 | ml/mol | McGowan Calculated Property |
| Pc | 1905.24 | kPa | Joback Calculated Property |
| Inp | [1600.00; 1601.00] |
|
|
| Inp | 1601.00 | NIST | |
| Inp | 1600.00 | NIST | |
| I | [2257.00; 2262.00] |
|
|
| I | 2257.00 | NIST | |
| I | 2262.00 | NIST | |
| Tboil | 557.57 | K | Relay (... Calculated Property |
| Tc | 747.17 | K | Relay (... Calculated Property |
| Tfus | 328.80 | K | Relay (... Calculated Property |
| Vc | 0.741 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [598.85; 685.41] | J/mol×K | [668.99; 862.55] |
|
| Cp,gas | 598.85 | J/mol×K | 668.99 | Joback Calculated Property |
| Cp,gas | 615.48 | J/mol×K | 701.25 | Joback Calculated Property |
| Cp,gas | 631.15 | J/mol×K | 733.51 | Joback Calculated Property |
| Cp,gas | 645.92 | J/mol×K | 765.77 | Joback Calculated Property |
| Cp,gas | 659.85 | J/mol×K | 798.03 | Joback Calculated Property |
| Cp,gas | 672.99 | J/mol×K | 830.29 | Joback Calculated Property |
| Cp,gas | 685.41 | J/mol×K | 862.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6,9-Epoxyfarnesa-1,7(14),10-trien-3-ol.
Sources
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