- InChI
- InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11-
- InChI Key
- YHRUHBBTQZKMEX-PVMFERMNSA-N
- Formula
- C15H24O
- SMILES
- CC(C)=CCCC(C)=CCCC(C)=CC=O
- Molecular Weight1
- 220.35
- CAS
- 4380-32-9
- Other Names
-
- cis, trans-Farnesal
- 2-cis-6-trans-Farnesal
- (2Z,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal
- Z,E-Farnesal
- (2Z,6E)-Farnesal
- 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 | 0.4954 | Relay (... Calculated Property | |
| ΔfG° | 190.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -221.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.28 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -4.27 | Relay (... Calculated Property | |
| logPoct/wat | 4.605 | Crippen Calculated Property | |
| McVol | 210.880 | ml/mol | McGowan Calculated Property |
| Pc | 1717.45 | kPa | Joback Calculated Property |
| Inp | [1664.90; 1727.00] |
|
|
| Inp | 1688.00 | NIST | |
| Inp | 1664.90 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1727.00 | NIST | |
| I | [2219.00; 2219.00] |
|
|
| I | 2219.00 | NIST | |
| I | 2219.00 | NIST | |
| Tboil | 558.57 | K | Relay (... Calculated Property |
| Tc | 740.44 | K | Relay (... Calculated Property |
| Tfus | 247.72 | K | Relay (... Calculated Property |
| Vc | 0.741 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.64; 619.50] | J/mol×K | [603.38; 794.15] |
|
| Cp,gas | 530.64 | J/mol×K | 603.38 | Joback Calculated Property |
| Cp,gas | 547.51 | J/mol×K | 635.18 | Joback Calculated Property |
| Cp,gas | 563.47 | J/mol×K | 666.97 | Joback Calculated Property |
| Cp,gas | 578.59 | J/mol×K | 698.77 | Joback Calculated Property |
| Cp,gas | 592.93 | J/mol×K | 730.56 | Joback Calculated Property |
| Cp,gas | 606.55 | J/mol×K | 762.36 | Joback Calculated Property |
| Cp,gas | 619.50 | J/mol×K | 794.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (Z,E)-.
Sources
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