- InChI
- InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11-
- InChI Key
- CRDAMVZIKSXKFV-PVMFERMNSA-N
- Formula
- C15H26O
- SMILES
- CC(C)=CCCC(C)=CCCC(C)=CCO
- Molecular Weight1
- 222.37
- CAS
- 3790-71-4
- Other Names
-
- (Z,E)-Farnesol
- (2Z,6E)-Farnesol
- cis-Farnesol
- cis,trans-Farnesol
- 2-cis,6-trans-Farnesol
- (2Z,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol
- (Z,E)-«alpha»-Farnesol
- cis,trans-«alpha»-Farnesol
- 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 | 0.6747 | Relay (... Calculated Property | |
| ΔfG° | 153.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.12 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.55 | kJ/mol | Relay (... Calculated Property |
| IE | 8.24 | eV | Relay (... Calculated Property |
| log10WS | -4.23 | Relay (... Calculated Property | |
| logPoct/wat | 4.398 | Crippen Calculated Property | |
| McVol | 215.180 | ml/mol | McGowan Calculated Property |
| Pc | 1743.37 | kPa | Joback Calculated Property |
| Inp | [1654.00; 1738.00] |
|
|
| Inp | 1679.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1661.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Inp | 1718.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1698.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1686.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | Outlier 1738.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1678.00 | NIST | |
| Inp | 1673.00 | NIST | |
| Inp | Outlier 1654.00 | NIST | |
| Inp | 1696.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | Outlier 1656.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1679.00 | NIST | |
| Inp | 1691.00 | NIST | |
| Inp | 1722.00 | NIST | |
| Inp | 1697.00 | NIST | |
| Inp | 1701.00 | NIST | |
| Inp | 1687.00 | NIST | |
| Inp | 1687.00 | NIST | |
| I | [2286.00; 2355.00] |
|
|
| I | 2355.00 | NIST | |
| I | 2291.00 | NIST | |
| I | 2352.00 | NIST | |
| I | 2303.00 | NIST | |
| I | 2350.00 | NIST | |
| I | 2339.00 | NIST | |
| I | 2315.00 | NIST | |
| I | 2286.00 | NIST | |
| I | 2351.00 | NIST | |
| I | 2321.00 | NIST | |
| I | 2291.00 | NIST | |
| I | 2315.00 | NIST | |
| I | 2315.00 | NIST | |
| I | 2341.00 | NIST | |
| I | 2325.00 | NIST | |
| I | 2341.00 | NIST | |
| I | 2355.00 | NIST | |
| Tboil | 576.16 | K | Relay (... Calculated Property |
| Tc | 749.09 | K | Relay (... Calculated Property |
| Tfus | 263.69 | K | Relay (... Calculated Property |
| Vc | 0.748 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.45; 656.14] | J/mol×K | [646.90; 826.12] |
|
| Cp,gas | 573.45 | J/mol×K | 646.90 | Joback Calculated Property |
| Cp,gas | 588.94 | J/mol×K | 676.77 | Joback Calculated Property |
| Cp,gas | 603.68 | J/mol×K | 706.64 | Joback Calculated Property |
| Cp,gas | 617.71 | J/mol×K | 736.51 | Joback Calculated Property |
| Cp,gas | 631.10 | J/mol×K | 766.38 | Joback Calculated Property |
| Cp,gas | 643.89 | J/mol×K | 796.25 | Joback Calculated Property |
| Cp,gas | 656.14 | J/mol×K | 826.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, (Z,E)-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.