Chemical Properties of trans-Pinocarvyl acetate (CAS 1686-15-3)

trans-Pinocarvyl acetate

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InChI
InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10+,11+/m1/s1
InChI Key
UDBAGFUFASPUFS-VWYCJHECSA-N
Formula
C12H18O2
SMILES
C=C1C2CC(CC1OC(C)=O)C2(C)C
Molecular Weight1
194.27
CAS
1686-15-3
Other Names
  • (E)-Pinocarvyl acetate
  • trans-Pinocarveol, acetate
  • trans-Pinocarveyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf -42.19 kJ/mol Joback Calculated Property
Δfgas -337.57 kJ/mol Joback Calculated Property
Δfus 18.48 kJ/mol Joback Calculated Property
Δvap 49.85 kJ/mol Joback Calculated Property
logPoct/wat 2.54 Crippen Calculated Property
Pc 2400.57 kPa Joback Calculated Property
Tboil 558.06 K Joback Calculated Property
Tc 767.19 K Joback Calculated Property
Tfus 358.62 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 418.91 J/mol×K 558.06 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Pinocarvyl acetate. cis-Pinocarvyl acetate. (Z)-Pinocarvyl acetate. cis-Pinocarvyl acetate. Marsupellyl acetate. (-)-Marsupellol acetate. (-)-4-epi-Marsupellol acetate. (-)-4-epi-Marsupellyl acetate. trans-Pinocarvyl caprate. trans-Pinocarvyl laureate. trans-Pinocarvyl formate. 8(15)-Cedren-9-«alpha»-yl acetate. Cedrenol acetate. 4«beta»-Acetoxygymnomitr-3(15)-ene. (-)-9-Acetoxygymnomitr-8(12)-ene.

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