- InChI
- InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
- InChI Key
- ZGIGZINMAOQWLX-NCZFFCEISA-N
- Formula
- C17H28O2
- SMILES
-
CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)
C - Molecular Weight1
- 264.40
- CAS
- 4128-17-0
- Other Names
-
- all-trans-Farnesyl acetate
- trans, trans-Farnesyl acetate
- 2-trans-6-trans-Farnesyl acetate
- (2E,6E)-Farnesyl acetate
- trans,trans-Farnesol acetate
- [(E,E)-3,7,11-Trimethyl-2,6,10-dodecatriene-1-yl]ester of acetic acid
- (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate
- (E,E)-Farnesyl acetate
- (E)-Farnesyl acetate
- Farnesyl acetate, (E,E)-
- trans-2-trans-6-Farnesyl acetate
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 73.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.71 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 4.969 | Crippen Calculated Property | |
| McVol | 244.930 | ml/mol | McGowan Calculated Property |
| Pc | 1442.44 | kPa | Joback Calculated Property |
| Inp | [1810.00; 1854.00] |
|
|
| Inp | 1812.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Inp | 1828.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | 1846.00 | NIST | |
| Inp | 1816.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | 1816.00 | NIST | |
| Inp | 1837.00 | NIST | |
| Inp | 1839.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Inp | 1854.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | 1817.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Inp | 1824.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Inp | 1816.00 | NIST | |
| Inp | 1818.00 | NIST | |
| Inp | 1810.00 | NIST | |
| Inp | 1837.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | 1814.00 | NIST | |
| Inp | 1815.00 | NIST | |
| Inp | 1824.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | 1847.00 | NIST | |
| Inp | 1821.00 | NIST | |
| Inp | 1821.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Inp | 1821.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Inp | 1812.00 | NIST | |
| I | [2222.00; 2283.00] |
|
|
| I | 2234.00 | NIST | |
| I | Outlier 2222.00 | NIST | |
| I | 2265.00 | NIST | |
| I | 2282.00 | NIST | |
| I | 2283.00 | NIST | |
| I | 2276.00 | NIST | |
| I | 2280.00 | NIST | |
| I | 2251.00 | NIST | |
| I | 2255.00 | NIST | |
| I | 2257.00 | NIST | |
| I | 2259.00 | NIST | |
| I | 2261.00 | NIST | |
| I | 2234.00 | NIST | |
| I | 2242.00 | NIST | |
| I | 2273.00 | NIST | |
| I | 2273.00 | NIST | |
| I | 2255.00 | NIST | |
| I | 2265.00 | NIST | |
| I | 2251.00 | NIST | |
| Tboil | 676.77 | K | Joback Calculated Property |
| Tc | 866.41 | K | Joback Calculated Property |
| Tfus | 296.39 | K | Joback Calculated Property |
| Vc | 0.955 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.60; 759.89] | J/mol×K | [676.77; 866.41] |
|
| Cp,gas | 666.60 | J/mol×K | 676.77 | Joback Calculated Property |
| Cp,gas | 684.20 | J/mol×K | 708.38 | Joback Calculated Property |
| Cp,gas | 700.91 | J/mol×K | 739.98 | Joback Calculated Property |
| Cp,gas | 716.78 | J/mol×K | 771.59 | Joback Calculated Property |
| Cp,gas | 731.87 | J/mol×K | 803.19 | Joback Calculated Property |
| Cp,gas | 746.22 | J/mol×K | 834.80 | Joback Calculated Property |
| Cp,gas | 759.89 | J/mol×K | 866.41 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 393.20 | K | 0.04 | NIST |
Similar Compounds
Find more compounds similar to 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.