- InChI
- InChI=1S/C16H28/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h9-10,13H,6-8,11-12H2,1-5H3/b15-9-,16-13-
- InChI Key
- XVIPCWLIFRBCRP-KKYYKMBRSA-N
- Formula
- C16H28
- SMILES
- CCC=C(C)CCC=C(C)CCC=C(C)C
- Molecular Weight1
- 220.39
- 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.
- 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 | 0.4423 | Relay (... Calculated Property | |
| ΔfG° | 298.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.23 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.71 | kJ/mol | Relay (... Calculated Property |
| IE | 8.00 | eV | Relay (... Calculated Property |
| log10WS | -6.25 | Relay (... Calculated Property | |
| logPoct/wat | 5.816 | Crippen Calculated Property | |
| McVol | 223.400 | ml/mol | McGowan Calculated Property |
| Pc | 1498.83 | kPa | Joback Calculated Property |
| Inp | [1726.00; 1730.00] |
|
|
| Inp | 1730.00 | NIST | |
| Inp | 1726.00 | NIST | |
| Tboil | 537.01 | K | Relay (... Calculated Property |
| Tc | 695.29 | K | Relay (... Calculated Property |
| Tfus | 214.55 | K | Relay (... Calculated Property |
| Vc | 0.809 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.77; 656.75] | J/mol×K | [577.60; 762.59] |
|
| Cp,gas | 555.77 | J/mol×K | 577.60 | Joback Calculated Property |
| Cp,gas | 574.82 | J/mol×K | 608.43 | Joback Calculated Property |
| Cp,gas | 592.91 | J/mol×K | 639.26 | Joback Calculated Property |
| Cp,gas | 610.09 | J/mol×K | 670.10 | Joback Calculated Property |
| Cp,gas | 626.42 | J/mol×K | 700.93 | Joback Calculated Property |
| Cp,gas | 641.95 | J/mol×K | 731.76 | Joback Calculated Property |
| Cp,gas | 656.75 | J/mol×K | 762.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-cis,6-cis-Farnesol.
Sources
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