- InChI
- InChI=1S/C17H28O/c1-6-17(5,18)14-10-13-16(4)12-9-7-8-11-15(2)3/h6,8,11,13,18H,1-2,7,9-10,12,14H2,3-5H3/b11-8+,16-13+
- InChI Key
- XCTSDLUOCRRDLZ-YZLWMTBJSA-N
- Formula
- C17H28O
- SMILES
- C=CC(C)(O)CCC=C(C)CCCC=CC(=C)C
- Molecular Weight1
- 248.40
- Other Names
-
- Fokienol [(E,E)-Farnesa-1,6,9,11-tetraen-3-ol]
- 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 | 0.7260 | Relay (1.0) Calculated Property | |
| ΔfG° | 277.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.952 | Crippen Calculated Property | |
| McVol | 239.060 | ml/mol | McGowan Calculated Property |
| Pc | 1548.78 | kPa | Joback Calculated Property |
| Inp | [1568.00; 1583.00] |
|
|
| Inp | 1576.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | Outlier 1568.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | 1583.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1576.00 | NIST | |
| I | [2170.00; 2187.00] |
|
|
| I | 2170.00 | NIST | |
| I | 2170.00 | NIST | |
| I | 2177.00 | NIST | |
| I | 2172.00 | NIST | |
| I | 2174.00 | NIST | |
| I | Outlier 2187.00 | NIST | |
| I | 2174.00 | NIST | |
| I | 2170.00 | NIST | |
| Tboil | 568.48 | K | Relay (1.0) Calculated Property |
| Tc | 749.66 | K | Relay (1.0) Calculated Property |
| Tfus | 293.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.829 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [659.93; 745.27] | J/mol×K | [678.75; 860.47] |
|
| Cp,gas | 659.93 | J/mol×K | 678.75 | Joback Calculated Property |
| Cp,gas | 676.03 | J/mol×K | 709.04 | Joback Calculated Property |
| Cp,gas | 691.28 | J/mol×K | 739.32 | Joback Calculated Property |
| Cp,gas | 705.77 | J/mol×K | 769.61 | Joback Calculated Property |
| Cp,gas | 719.55 | J/mol×K | 799.89 | Joback Calculated Property |
| Cp,gas | 732.69 | J/mol×K | 830.18 | Joback Calculated Property |
| Cp,gas | 745.27 | J/mol×K | 860.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fokienol.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.