Chemical Properties of .beta.-Isocyclolavandulyl isobutyrate

.beta.-Isocyclolavandulyl isobutyrate

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InChI
InChI=1S/C14H24O2/c1-10(2)13(15)16-9-12-6-7-14(4,5)8-11(12)3/h6,10-11H,7-9H2,1-5H3/t11-/m0/s1
InChI Key
QTBRAZDTZAOKEV-NSHDSACASA-N
Formula
C14H24O2
SMILES
CC(C)C(=O)OCC1=CCC(C)(C)CC1C
Molecular Weight1
224.34
Sources

Physical Properties

Property Value Unit Source
Δf -137.78 kJ/mol Joback Calculated Property
Δfgas -486.84 kJ/mol Joback Calculated Property
Δfus 18.72 kJ/mol Joback Calculated Property
Δvap 55.45 kJ/mol Joback Calculated Property
logPoct/wat 3.57 Crippen Calculated Property
Pc 1940.65 kPa Joback Calculated Property
Tboil 614.83 K Joback Calculated Property
Tc 822.36 K Joback Calculated Property
Tfus 345.02 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 538.02 J/mol×K 614.83 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 5
=CH- (ring) 1
=C< (ring) 1
-CH2- 1
>C< (ring) 1
>C=O (nonring) 1
>CH- (ring) 1
-CH2- (ring) 2

Similar Compounds

.beta.-Isocyclolavandulyl propionate. .beta.-Isocyclolavandulyl isovalerate. .beta.-Isocyclolavandulyl acetate. «beta»-Cyclolavandulyl isobutyrate. 2-pinen-10-yl isobutyrate. Perillyl isobutyrate. .beta.-Cyclolavandulyl propionate. .beta.-Cyclolavandulyl isovalerate. (-)-15-Acetoxygymnomitr-3-ene. Myrtenyl 2-methyl butyrate. .alpha.-Cyclogeraniol, acetate. myrtenyl 3-methylbutanoate. Myrtenyl hexanoate. Myrtenyl acetate. Myrtenyl 3-methylvalerate.

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

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