Chemical Properties of Isolinalyl acetate

Isolinalyl acetate

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InChI
InChI=1S/C12H20O2/c1-9(2)7-6-8-12(10(3)4)14-11(5)13/h7,12H,3,6,8H2,1-2,4-5H3
InChI Key
NRKPLVRYTKSVNC-UHFFFAOYSA-N
Formula
C12H20O2
SMILES
C=C(C)C(CCC=C(C)C)OC(C)=O
Molecular Weight1
196.29
Sources

Physical Properties

Property Value Unit Source
Δf -35.24 kJ/mol Joback Calculated Property
Δfgas -318.02 kJ/mol Joback Calculated Property
Δfus 22.40 kJ/mol Joback Calculated Property
Δvap 50.52 kJ/mol Joback Calculated Property
logPoct/wat 3.24 Crippen Calculated Property
Pc 2043.76 kPa Joback Calculated Property
Tboil 550.41 K Joback Calculated Property
Tc 739.62 K Joback Calculated Property
Tfus 247.40 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 425.81 J/mol×K 550.41 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1,6-Octadien-3-ol, 3,7-dimethyl-, acetate. 1,5-dimethyl-1-vinylhept-4-enyl acetate. 2,6-Dimethyl-1,7-octadien-3-ol, acetate. (6R)-Hydroxy-«alpha»-humulene acetate. «alpha»-caryophylene acetate. trans-Nerolidyl Acetate. Nerolidyl acetate. (Z)-Nerolidyl acetate. Dihydrolinalool acetate. (Z)-Nerolidol acetate. ethyl linalyl acetate 1. 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate. 1,5-Dimethyl-1-vinyl-4-hexenyl butyrate. Nerolidyl propionate. (Z)-5-tangerinol [6,10-dimethyl-(Z)-5,9-undecadienyl 2-acetate].

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