Chemical Properties of (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl isobutyrate

(E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl isobutyrate

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InChI
InChI=1S/C19H32O3/c1-8-19(7,21)11-9-10-16(6)13-17(12-14(2)3)22-18(20)15(4)5/h8,10,12,15,17,21H,1,9,11,13H2,2-7H3/b16-10+
InChI Key
FSIHKFFUYHQELZ-MHWRWJLKSA-N
Formula
C19H32O3
SMILES
C=CC(C)(O)CCC=C(C)CC(C=C(C)C)OC(=O)C(C)C
Molecular Weight1
308.46
Other Names
  • 3-Hydroxy-3,7,11-trimethyldodeca-1,6(E),10-trien-9-yl isobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -32.50 kJ/mol Joback Calculated Property
Δfgas -511.54 kJ/mol Joback Calculated Property
Δfus 33.88 kJ/mol Joback Calculated Property
Δvap 81.06 kJ/mol Joback Calculated Property
logPoct/wat 4.57 Crippen Calculated Property
Pc 1358.63 kPa Joback Calculated Property
Tboil 803.24 K Joback Calculated Property
Tc 995.43 K Joback Calculated Property
Tfus 369.45 K Joback Calculated Property
Vc 1.06 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 850.50 J/mol×K 803.24 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
=C< 2
>C=O (nonring) 1
=CH2 1
-CH2- 3
>C< 1
=CH- 3
-CH3 6
-OH (alcohol) 1

Similar Compounds

3-Hydroxy-3,7,11-trimethyldodeca-1,6(E),10-trien-9-yl propanoate. (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl 2-methylbutyrate. ipsdienyl acetate. Nerolidyl propionate. Linalyl isobutyrate. Linalyl 2-methylbutanoate. Nerolidyl acetate. (Z)-Nerolidyl acetate. trans-Nerolidyl Acetate. threo-trans-Bejarol (5,9-Epoxynerolidol). cis-Bejarol. 6-Acetoxycaryophyllene. 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate. 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate. Butanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester.

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