Chemical Properties of 8-acetoxylinalool

8-acetoxylinalool

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InChI
InChI=1S/C12H20O3/c1-5-12(4,14)8-6-7-10(2)9-15-11(3)13/h5,7,14H,1,6,8-9H2,2-4H3/b10-7+
InChI Key
BOJXRPGLMTUOEQ-JXMROGBWSA-N
Formula
C12H20O3
SMILES
C=CC(C)(O)CCC=C(C)COC(C)=O
Molecular Weight1
212.29
Sources

Physical Properties

Property Value Unit Source
Δf -158.23 kJ/mol Joback Calculated Property
Δfgas -463.93 kJ/mol Joback Calculated Property
Δfus 23.91 kJ/mol Joback Calculated Property
Δvap 66.21 kJ/mol Joback Calculated Property
logPoct/wat 2.21 Crippen Calculated Property
Pc 2237.64 kPa Joback Calculated Property
Tboil 639.92 K Joback Calculated Property
Tc 823.40 K Joback Calculated Property
Tfus 339.60 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 489.33 J/mol×K 639.92 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2,7-Octadiene-1,6-diol, 2,6-dimethyl-, (E)-. cis-2,6-Dimethyl-2,7-octadien-1,6-diol. 2,7-Octadiene-1,6-diol, 2,6-dimethyl-. (E)-8-Hydroxylinalool. (Z)-8-Hydroxylinalool. 2,7-Octadiene-1,6-diol, 2,6-dimethyl-, (Z)-. Myrcen-8-yl acetate. 2,6-Dimethyl-2,6-octadiene-1,8-diol diacetate. 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate. 1,5-dimethyl-1-vinylhept-4-enyl acetate. Linalool. ( S)-linalool. (R)-linalool. 1,6-Octadien-3-ol, 3,7-dimethyl-, formate. linalyl methyl ether.

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