Chemical Properties of «beta»-Cyclolavandulyl isobutyrate

«beta»-Cyclolavandulyl 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/h10H,6-9H2,1-5H3
InChI Key
MPXQTTNSJUOAST-UHFFFAOYSA-N
Formula
C14H24O2
SMILES
CC1=C(COC(=O)C(C)C)CCC(C)(C)C1
Molecular Weight1
224.34
Sources

Physical Properties

Property Value Unit Source
Δf -139.70 kJ/mol Joback Calculated Property
Δfgas -477.97 kJ/mol Joback Calculated Property
Δfus 17.26 kJ/mol Joback Calculated Property
Δvap 56.42 kJ/mol Joback Calculated Property
logPoct/wat 3.712 Crippen Calculated Property
Pc 1971.80 kPa Joback Calculated Property
Tboil 624.48 K Joback Calculated Property
Tc 833.00 K Joback Calculated Property
Tfus 361.78 K Joback Calculated Property
Vc 0.754 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 536.65 J/mol×K 624.48 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 5
=C< (ring) 2
-CH2- 1
>C< (ring) 1
>C=O (nonring) 1
-CH2- (ring) 3

Similar Compounds

.beta.-Cyclolavandulyl propionate. .beta.-Cyclolavandulyl isovalerate. «beta»-Cyclolavandulyl acetate. .beta.-Isocyclolavandulyl isobutyrate. .beta.-Isocyclolavandulyl propionate. .beta.-Isocyclolavandulyl isovalerate. Perillyl isobutyrate. Succinic acid, 2-ethylhexyl (2-methylcyclohex-1-en-1-yl)methyl ester. .beta.-Isocyclolavandulyl acetate. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2-ethylhexyl ester. .alpha.-Cyclogeraniol, acetate. Succinic acid, cyclohexylmethyl (2-methylcyclohex-1-en-1-yl)methyl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl cyclohexylmethyl ester. Glutaric acid, di((2-methylcyclohex-1-enyl)methyl) ester. 2-pinen-10-yl isobutyrate.

Find more compounds similar to «beta»-Cyclolavandulyl isobutyrate.

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