- InChI
- InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10-,15-12+
- InChI Key
- CXENHBSYCFFKJS-OXYODPPFSA-N
- Formula
- C15H24
- SMILES
- C=CC(C)=CCC=C(C)CCC=C(C)C
- Molecular Weight1
- 204.35
- CAS
- 26560-14-5
- Other Names
-
- (Z,E)-«alpha»-Farnesene
- (3Z,6E)-3,7,11-Trimethyl-1,3,6,10-dodecatetraene
- «alpha»-(Z,E)-Farnesene
- (3Z,6E)- «alpha»-Farnesene
- cis,trans-«alpha»-Farnesene
- (Z)-3, (E)-6-«alpha»-Farnesene
- (Z,E)-3,7,11-Trimethyl-1,3,6,10-dodecatetraene,
- ( Z, E)-farnesene
- (Z,E)-«alpha»-Farnesen(3,7,11-Trimethyl-1,3,6,10-dodecatetraen)
- 1,3,6,10-Dodetetraene, 3,7,11-trimethyl-,[Z,E]
- 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 | 0.3779 | Relay (... Calculated Property | |
| ΔfG° | 378.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -7.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.81 | kJ/mol | Relay (... Calculated Property |
| IE | 7.94 | eV | Relay (... Calculated Property |
| log10WS | -5.65 | Relay (... Calculated Property | |
| logPoct/wat | 5.202 | Crippen Calculated Property | |
| McVol | 205.010 | ml/mol | McGowan Calculated Property |
| Pc | 1672.79 | kPa | Joback Calculated Property |
| Inp | [1462.00; 1505.00] |
|
|
| Inp | 1483.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | Outlier 1470.00 | NIST | |
| Inp | Outlier 1462.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1495.90 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | Outlier 1505.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | Outlier 1467.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1484.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1480.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | Outlier 1470.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1478.00 | NIST | |
| I | [1692.00; 1770.00] |
|
|
| I | 1721.00 | NIST | |
| I | Outlier 1692.00 | NIST | |
| I | Outlier 1692.00 | NIST | |
| I | 1717.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1747.00 | NIST | |
| I | 1748.00 | NIST | |
| I | 1733.00 | NIST | |
| I | 1720.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1728.00 | NIST | |
| I | 1722.00 | NIST | |
| I | Outlier 1770.00 | NIST | |
| I | 1721.00 | NIST | |
| I | 1726.00 | NIST | |
| I | 1721.00 | NIST | |
| I | 1727.00 | NIST | |
| I | 1727.00 | NIST | |
| I | 1715.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1715.00 | NIST | |
| I | 1737.00 | NIST | |
| I | 1717.00 | NIST | |
| I | 1748.00 | NIST | |
| I | 1723.00 | NIST | |
| I | 1726.00 | NIST | |
| I | Outlier 1692.00 | NIST | |
| I | 1720.00 | NIST | |
| Tboil | 526.53 | K | Relay (... Calculated Property |
| Tc | 687.98 | K | Relay (... Calculated Property |
| Tfus | 224.45 | K | Relay (... Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.77; 579.10] | J/mol×K | [551.40; 741.98] |
|
| Cp,gas | 483.77 | J/mol×K | 551.40 | Joback Calculated Property |
| Cp,gas | 501.93 | J/mol×K | 583.16 | Joback Calculated Property |
| Cp,gas | 519.09 | J/mol×K | 614.93 | Joback Calculated Property |
| Cp,gas | 535.33 | J/mol×K | 646.69 | Joback Calculated Property |
| Cp,gas | 550.70 | J/mol×K | 678.45 | Joback Calculated Property |
| Cp,gas | 565.26 | J/mol×K | 710.22 | Joback Calculated Property |
| Cp,gas | 579.10 | J/mol×K | 741.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (Z,E)-.
Sources
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