- InChI
- InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10+,15-12+
- InChI Key
- NWKXNIPBVLQYAB-VDQVFBMKSA-N
- Formula
- C16H26O2
- SMILES
- COC(=O)C=C(C)CCC=C(C)CCC=C(C)C
- Molecular Weight1
- 250.38
- CAS
- 3675-00-1
- Other Names
-
- Methyl (2E,6E)-farnesoate
- Methyl trans,trans-farnesate
- Methyl trans,trans-farnesenate
- Methyl trans,trans-farnesoate
- Methyl (2E,6E)-farnesate
- Methyl (E,E)-farnesoate
- Methyl 3,7,11-trimethyl-2E,6E,10-dodecatrienoate
- 2-trans-Farnesic acid methyl ester
- (2E,6E)-Methyl 3,7,11-trimethyldodeca-2,6,10-trienoate
- 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 | 0.5735 | Relay (... Calculated Property | |
| ΔfG° | 64.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.39 | eV | Relay (... Calculated Property |
| log10WS | -4.82 | Relay (... Calculated Property | |
| logPoct/wat | 4.579 | Crippen Calculated Property | |
| McVol | 230.840 | ml/mol | McGowan Calculated Property |
| Pc | 1553.67 | kPa | Joback Calculated Property |
| Inp | 1789.10 | NIST | |
| Tboil | 551.49 | K | Relay (... Calculated Property |
| Tc | 732.14 | K | Relay (... Calculated Property |
| Tfus | 246.28 | K | Relay (... Calculated Property |
| Vc | 0.811 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.00; 703.10] | J/mol×K | [653.89; 845.23] | 
|
| Cp,gas | 612.00 | J/mol×K | 653.89 | Joback Calculated Property |
| Cp,gas | 629.22 | J/mol×K | 685.78 | Joback Calculated Property |
| Cp,gas | 645.56 | J/mol×K | 717.67 | Joback Calculated Property |
| Cp,gas | 661.06 | J/mol×K | 749.56 | Joback Calculated Property |
| Cp,gas | 675.79 | J/mol×K | 781.45 | Joback Calculated Property |
| Cp,gas | 689.78 | J/mol×K | 813.34 | Joback Calculated Property |
| Cp,gas | 703.10 | J/mol×K | 845.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,E)-.
Sources
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