Chemical Properties of .beta.-Cyclolavandulyl propionate

.beta.-Cyclolavandulyl propionate

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InChI
InChI=1S/C13H22O2/c1-5-12(14)15-9-11-6-7-13(3,4)8-10(11)2/h5-9H2,1-4H3
InChI Key
FYFSCEZHVSYIGI-UHFFFAOYSA-N
Formula
C13H22O2
SMILES
CCC(=O)OCC1=C(C)CC(C)(C)CC1
Molecular Weight1
210.31
Sources

Physical Properties

Property Value Unit Source
Δf -145.68 kJ/mol Joback Calculated Property
Δfgas -452.05 kJ/mol Joback Calculated Property
Δfus 18.19 kJ/mol Joback Calculated Property
Δvap 54.58 kJ/mol Joback Calculated Property
logPoct/wat 3.47 Crippen Calculated Property
Pc 2135.43 kPa Joback Calculated Property
Tboil 602.04 K Joback Calculated Property
Tc 809.71 K Joback Calculated Property
Tfus 365.51 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 484.22 J/mol×K 602.04 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

«beta»-Cyclolavandulyl isobutyrate. «beta»-Cyclolavandulyl acetate. .beta.-Cyclolavandulyl isovalerate. .beta.-Isocyclolavandulyl propionate. .beta.-Isocyclolavandulyl isobutyrate. .beta.-Isocyclolavandulyl isovalerate. .beta.-Isocyclolavandulyl acetate. .alpha.-Cyclogeraniol, 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. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 8-chlorooctyl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2-ethylhexyl ester. Succinic acid, cyclohexylmethyl (2-methylcyclohex-1-en-1-yl)methyl ester. Perillyl isobutyrate.

Find more compounds similar to .beta.-Cyclolavandulyl propionate.

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