Chemical Properties of Dihydromyrcenyl acetate (CAS 88969-41-9)

Dihydromyrcenyl acetate

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InChI
InChI=1S/C12H22O2/c1-5-10(2)7-6-8-11(3)9-14-12(4)13/h11H,2,5-9H2,1,3-4H3
InChI Key
IRRIQZAIMANVTH-UHFFFAOYSA-N
Formula
C12H22O2
SMILES
C=C(CC)CCCC(C)COC(C)=O
Molecular Weight1
198.30
CAS
88969-41-9
Other Names
  • 2-methyl-6-methylene-2-octyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -106.91 kJ/mol Joback Calculated Property
Δfgas -425.45 kJ/mol Joback Calculated Property
Δfus 23.51 kJ/mol Joback Calculated Property
Δvap 50.48 kJ/mol Joback Calculated Property
logPoct/wat 3.322 Crippen Calculated Property
Pc 1942.37 kPa Joback Calculated Property
Tboil 546.37 K Joback Calculated Property
Tc 725.06 K Joback Calculated Property
Tfus 266.44 K Joback Calculated Property
Vc 0.708 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 444.43 J/mol×K 546.37 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
=C< 1
>C=O (nonring) 1
=CH2 1
-CH2- 5
-CH3 3

Similar Compounds

Cyclohexanemethanol, 4-methylene-, acetate. .alpha.-Citronellyl acetate. 2-methylheptyl propanoate. Acetic acid, 2-ethylhexyl ester. 1-pentanol, 2-methyl-, acetate. 14-Methylpentadecano-15-lactone. Oxacyclotetradecan-2-one, 13-methyl-. Trans-1,4-cyclohexanedimethanol, diacetate. Acetic acid, 2-propylpentyl ester. Propanoic acid, 2-ethylhexyl ester. 2-Propenoic acid, 2-ethylhexyl ester. Acetic acid, 2,4-dimethylpentyl ester. 13-Tetradecen-1-ol acetate. 9-Decen-1-yl acetate. 11-Dodecen-1-yl acetate.

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