- InChI
- InChI=1S/C18H28O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h8-9,11,13-14H,6-7,10,12H2,1-5H3/b14-8+,16-11+,17-13+
- InChI Key
- HGFAGNRYCRACAH-WWESEOGYSA-N
- Formula
- C18H28O
- SMILES
-
CC(=O)C=CC=C(C)CCC=C(C)CCC=C(C
)C - Molecular Weight1
- 260.41
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 266.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.48 | kJ/mol | Joback Calculated Property |
| log10WS | -6.05 | Crippen Calculated Property | |
| logPoct/wat | 5.551 | Crippen Calculated Property | |
| McVol | 248.850 | ml/mol | McGowan Calculated Property |
| Pc | 1413.31 | kPa | Joback Calculated Property |
| Inp | [1884.00; 1921.00] |
|
|
| Inp | Outlier 1884.00 | NIST | |
| Inp | 1921.00 | NIST | |
| Inp | 1916.00 | NIST | |
| Inp | 1911.00 | NIST | |
| Inp | 1916.00 | NIST | |
| Inp | 1915.00 | NIST | |
| Inp | 1911.00 | NIST | |
| Inp | 1911.00 | NIST | |
| Inp | 1921.00 | NIST | |
| Inp | 1918.00 | NIST | |
| Inp | 1918.00 | NIST | |
| Inp | 1920.00 | NIST | |
| Inp | 1919.00 | NIST | |
| Inp | Outlier 1884.00 | NIST | |
| I | [2377.00; 2382.00] |
|
|
| I | 2382.00 | NIST | |
| I | 2382.00 | NIST | |
| I | 2377.00 | NIST | |
| Tboil | 681.39 | K | Joback Calculated Property |
| Tc | 876.63 | K | Joback Calculated Property |
| Tfus | 280.35 | K | Joback Calculated Property |
| Vc | 0.973 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [670.46; 765.16] | J/mol×K | [681.39; 876.63] |
|
| Cp,gas | 670.46 | J/mol×K | 681.39 | Joback Calculated Property |
| Cp,gas | 688.34 | J/mol×K | 713.93 | Joback Calculated Property |
| Cp,gas | 705.27 | J/mol×K | 746.47 | Joback Calculated Property |
| Cp,gas | 721.34 | J/mol×K | 779.01 | Joback Calculated Property |
| Cp,gas | 736.62 | J/mol×K | 811.55 | Joback Calculated Property |
| Cp,gas | 751.20 | J/mol×K | 844.09 | Joback Calculated Property |
| Cp,gas | 765.16 | J/mol×K | 876.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E)-Farnesyl acetone.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.