Chemical Properties of «beta»-Cyclolavandulyl acetate

«beta»-Cyclolavandulyl acetate

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InChI
InChI=1S/C12H20O2/c1-9-7-12(3,4)6-5-11(9)8-14-10(2)13/h5-8H2,1-4H3
InChI Key
PJBZKRBNXOKTOE-UHFFFAOYSA-N
Formula
C12H20O2
SMILES
CC(=O)OCC1=C(C)CC(C)(C)CC1
Molecular Weight1
196.29
Sources

Physical Properties

Property Value Unit Source
Δf -154.10 kJ/mol Joback Calculated Property
Δfgas -431.41 kJ/mol Joback Calculated Property
Δfus 15.60 kJ/mol Joback Calculated Property
Δvap 52.36 kJ/mol Joback Calculated Property
logPoct/wat 3.08 Crippen Calculated Property
Pc 2338.29 kPa Joback Calculated Property
Tboil 579.16 K Joback Calculated Property
Tc 790.19 K Joback Calculated Property
Tfus 354.24 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 433.72 J/mol×K 579.16 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 4
=C< (ring) 2
-CH2- 1
>C< (ring) 1
>C=O (nonring) 1
-CH2- (ring) 3

Similar Compounds

.beta.-Cyclolavandulyl propionate. «beta»-Cyclolavandulyl isobutyrate. .beta.-Cyclolavandulyl isovalerate. .beta.-Isocyclolavandulyl acetate. .alpha.-Cyclogeraniol, acetate. .beta.-Isocyclolavandulyl propionate. .beta.-Isocyclolavandulyl isobutyrate. .beta.-Isocyclolavandulyl isovalerate. P-mentha-1,8-dien-7-yl acetate. Glutaric acid, di((2-methylcyclohex-1-enyl)methyl) ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl dodec-2-en-1-yl ester. Succinic acid, 2-ethylhexyl (2-methylcyclohex-1-en-1-yl)methyl ester. .beta.-Cyclolavandulol. Myrtenyl acetate. (-)-15-Acetoxygymnomitr-3-ene.

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