Chemical Properties of 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate (CAS 78-36-4)

1,5-Dimethyl-1-vinyl-4-hexenyl butyrate

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InChI
InChI=1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
InChI Key
FHLGUOHLUFIAAA-UHFFFAOYSA-N
Formula
C14H24O2
SMILES
C=CC(C)(CCC=C(C)C)OC(=O)CCC
Molecular Weight1
224.34
CAS
78-36-4
Other Names
  • Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
  • Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
  • Butyric acid, linalyl ester
  • Linalyl butanoate
  • Linalyl butyrate
Sources

Physical Properties

Property Value Unit Source
Δf -4.57 kJ/mol Joback Calculated Property
Δfgas -352.98 kJ/mol Joback Calculated Property
Δfus 25.00 kJ/mol Joback Calculated Property
Δvap 53.99 kJ/mol Joback Calculated Property
logPoct/wat 4.02 Crippen Calculated Property
Pc 1739.01 kPa Joback Calculated Property
Tboil 593.50 K Joback Calculated Property
Tc 781.84 K Joback Calculated Property
Tfus 301.32 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 528.80 J/mol×K 593.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 1
=CH2 1
-CH2- 4
>C< 1
=CH- 2
-CH3 4
>C=O (nonring) 1

Similar Compounds

1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate. Pentanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. Butanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester. Linalyl n-hexanoate. Linalyl heptanoate. Linalyl isobutyrate. Linalyl 2-methylbutanoate. Nerolidyl propionate. 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate. 1,5-dimethyl-1-vinylhept-4-enyl acetate. linalyl 3-methylhexanoate. (Z)-Nerolidol acetate. trans-Nerolidyl Acetate. (Z)-Nerolidyl acetate. Nerolidyl acetate.

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