- 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
- 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.
- 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° | 153.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.78 | kJ/mol | Joback Calculated Property |
| log10WS | -4.93 | Crippen 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 | [1705.00; 1705.00] |
|
|
| Inp | 1705.00 | NIST | |
| Inp | 1705.00 | NIST | |
| Tboil | 646.90 | K | Joback Calculated Property |
| Tc | 826.12 | K | Joback Calculated Property |
| Tfus | 262.51 | K | Joback Calculated Property |
| Vc | 0.838 | m3/kmol | Joback 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 (Z,Z)-2,6-Farnesol.
Sources
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