Chemical Properties of .beta.-Cyclolavandulyl isovalerate

.beta.-Cyclolavandulyl isovalerate

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InChI
InChI=1S/C15H26O2/c1-11(2)8-14(16)17-10-13-6-7-15(4,5)9-12(13)3/h11H,6-10H2,1-5H3
InChI Key
DCWWZLVSQIFSJP-UHFFFAOYSA-N
Formula
C15H26O2
SMILES
CC1=C(COC(=O)CC(C)C)CCC(C)(C)C1
Molecular Weight1
238.37
Sources

Physical Properties

Property Value Unit Source
Δf -131.28 kJ/mol Joback Calculated Property
Δfgas -498.61 kJ/mol Joback Calculated Property
Δfus 19.85 kJ/mol Joback Calculated Property
Δvap 58.65 kJ/mol Joback Calculated Property
logPoct/wat 4.10 Crippen Calculated Property
Pc 1813.86 kPa Joback Calculated Property
Tboil 647.36 K Joback Calculated Property
Tc 852.79 K Joback Calculated Property
Tfus 373.05 K Joback Calculated Property
Vc 0.81 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 590.13 J/mol×K 647.36 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

.beta.-Cyclolavandulyl propionate. «beta»-Cyclolavandulyl isobutyrate. «beta»-Cyclolavandulyl acetate. .beta.-Isocyclolavandulyl isovalerate. .beta.-Isocyclolavandulyl propionate. .beta.-Isocyclolavandulyl isobutyrate. .beta.-Isocyclolavandulyl acetate. .alpha.-Cyclogeraniol, acetate. Succinic acid, 2-ethylhexyl (2-methylcyclohex-1-en-1-yl)methyl ester. Glutaric acid, di((2-methylcyclohex-1-enyl)methyl) ester. Succinic acid, cyclohexylmethyl (2-methylcyclohex-1-en-1-yl)methyl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl 2-ethylhexyl ester. Glutaric acid, (2-methylcyclohex-1-enyl)methyl dodec-2-en-1-yl ester. myrtenyl 3-methylbutanoate. Glutaric acid, (2-methylcyclohex-1-enyl)methyl cyclohexylmethyl ester.

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