Chemical Properties of .beta.-Isocyclolavandulyl acetate

.beta.-Isocyclolavandulyl acetate

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InChI
InChI=1S/C12H20O2/c1-9-7-12(3,4)6-5-11(9)8-14-10(2)13/h5,9H,6-8H2,1-4H3/t9-/m0/s1
InChI Key
QHJKSPVTMXZZCA-VIFPVBQESA-N
Formula
C12H20O2
SMILES
CC(=O)OCC1=CCC(C)(C)CC1C
Molecular Weight1
196.29
Sources

Physical Properties

Property Value Unit Source
Δf -152.18 kJ/mol Joback Calculated Property
Δfgas -440.28 kJ/mol Joback Calculated Property
Δfus 17.06 kJ/mol Joback Calculated Property
Δvap 51.39 kJ/mol Joback Calculated Property
logPoct/wat 2.93 Crippen Calculated Property
Pc 2298.11 kPa Joback Calculated Property
Tboil 569.51 K Joback Calculated Property
Tc 779.44 K Joback Calculated Property
Tfus 337.48 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 434.86 J/mol×K 569.51 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 4
>CH- (ring) 1
-CH2- (ring) 2

Similar Compounds

.beta.-Isocyclolavandulyl propionate. .beta.-Isocyclolavandulyl isobutyrate. .beta.-Isocyclolavandulyl isovalerate. .alpha.-Cyclogeraniol, acetate. (-)-15-Acetoxygymnomitr-3-ene. «beta»-Cyclolavandulyl acetate. .beta.-Cyclolavandulyl propionate. .beta.-Cyclolavandulyl isovalerate. Myrtenyl acetate. P-mentha-1,8-dien-7-yl acetate. «beta»-Cyclolavandulyl isobutyrate. 2-pinen-10-yl isobutyrate. myrtenyl 3-methylbutanoate. Perillyl isobutyrate. Myrtenyl hexanoate.

Find more compounds similar to .beta.-Isocyclolavandulyl acetate.

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