Chemical Properties of 4-Thujen-2-«alpha»-yl acetate (CAS 53833-85-5)

4-Thujen-2-«alpha»-yl acetate

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InChI
InChI=1S/C12H18O2/c1-7(2)12-6-10(12)8(3)5-11(12)14-9(4)13/h5,7,10-11H,6H2,1-4H3
InChI Key
OIAIPKLZAGWFDB-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
CC(=O)OC1C=C(C)C2CC21C(C)C
Molecular Weight1
194.27
CAS
53833-85-5
Other Names
  • Sabinil acetate trans
Sources

Physical Properties

Property Value Unit Source
Δf -57.57 kJ/mol Joback Calculated Property
Δfgas -354.28 kJ/mol Joback Calculated Property
Δfus 17.98 kJ/mol Joback Calculated Property
Δvap 50.39 kJ/mol Joback Calculated Property
logPoct/wat 2.54 Crippen Calculated Property
Pc 2443.48 kPa Joback Calculated Property
Tboil 563.00 K Joback Calculated Property
Tc 770.72 K Joback Calculated Property
Tfus 350.98 K Joback Calculated Property
Vc 0.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 418.04 J/mol×K 563.0 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

cis-Umbellulol. cis-thujenol. 3-Thujen-2-ol, stereoisomer. trans-Umbellulol. Isoverbenyl acetate. Bicyclo[3.1.1]hept-2-en-4-ol, 2,6,6-trimethyl-, acetate. neo-iso-Verbenol acetate. trans-Verbenyl acetate. cis-Verbenyl acetate. trans-Verbenyl isovalerate. trans-Verbenyl caprate. trans-Verbenyl laureate. 3Beta,17beta-diacetoxyandrost-5-ene. Verbenyl angelate, cis-. cis-Piperitol, acetate.

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