Chemical Properties of trans,trans-Farnesoic acid

trans,trans-Farnesoic acid

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InChI
InChI=1S/C15H24O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)/b13-9+,14-11+
InChI Key
WJHFZYAELPOJIV-IJFRVEDASA-N
Formula
C15H24O2
SMILES
CC(C)=CCCC(C)=CCCC(C)=CC(=O)O
Molecular Weight1
236.35
Sources

Physical Properties

Property Value Unit Source
Δf 24.69 kJ/mol Joback Calculated Property
Δfgas -295.45 kJ/mol Joback Calculated Property
Δfus 36.97 kJ/mol Joback Calculated Property
Δvap 72.52 kJ/mol Joback Calculated Property
logPoct/wat 4.49 Crippen Calculated Property
Pc 1838.84 kPa Joback Calculated Property
Tboil 700.77 K Joback Calculated Property
Tc 887.37 K Joback Calculated Property
Tfus 312.44 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 594.65 J/mol×K 700.77 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 4
-OH (alcohol) 1
-CH2- 4
=C< 3
=CH- 3
>C=O (nonring) 1

Similar Compounds

cis,trans-Farnesoic acid. 3,7,11-Trimethyl-dodeca-2,6,10-trienoic acid. Geranic acid. Geranic acid. Neric acid. 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester. Methyl 3,7,11-trimerthyl-2,6,10-dodecatrienoate (Methyl farnesate). 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,E)-. 2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-, methyl ester, (E,Z)-. (E,E)-Methyl farnesoate. 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (Z)-. 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester. trans-Geranic acid methyl ester. Ethyl geranate. Ethyl nerate.

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