Chemical Properties of Myrtenyl acetate (CAS 1079-01-2)

Myrtenyl acetate

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InChI
InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3
InChI Key
BKATZVAUANSCKN-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
CC(=O)OCC1=CCC2CC1C2(C)C
Molecular Weight1
194.27
CAS
1079-01-2
Other Names
  • (+)-Myrtenyl acetate
  • (1S)-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl acetate
  • (1S)-6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol acetate
  • 2-Pinen-10-ol, acetate
  • Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S)-
  • myrtenalacetate
Sources

Physical Properties

Property Value Unit Source
Δf -67.23 kJ/mol Joback Calculated Property
Δfgas -355.16 kJ/mol Joback Calculated Property
Δfus 19.40 kJ/mol Joback Calculated Property
Δvap 50.95 kJ/mol Joback Calculated Property
logPoct/wat 2.54 Crippen Calculated Property
Pc 2485.07 kPa Joback Calculated Property
Tboil 567.71 K Joback Calculated Property
Tc 778.17 K Joback Calculated Property
Tfus 362.46 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 418.70 J/mol×K 567.71 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-pinen-10-yl isobutyrate. myrtenyl 3-methylbutanoate. Myrtenyl hexanoate. Myrtenyl 3-methylvalerate. Myrtenyl caprate. Myrtenyl laureate. Myrtenyl 2-methyl butyrate. Myrtenyl formate. Glutaric acid, di(myrtenyl) ester. Glutaric acid, myrtenyl 3-methylbut-2-en-1-yl ester. Myrtenyl angelate. Glutaric acid, myrtenyl 8-chlorooctyl ester. Glutaric acid, myrtenyl 2-ethylhexyl ester. Glutaric acid, myrtenyl cyclohexylmethyl ester. (-)-Myrtenol, trifluoroacetate.

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