Chemical Properties of Perillyl isobutyrate

Perillyl isobutyrate

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InChI
InChI=1S/C14H22O2/c1-10(2)13-7-5-12(6-8-13)9-16-14(15)11(3)4/h5,11,13H,1,6-9H2,2-4H3/t13-/m1/s1
InChI Key
KAQYLYYVKDTFRT-CYBMUJFWSA-N
Formula
C14H22O2
SMILES
C=C(C)C1CC=C(COC(=O)C(C)C)CC1
Molecular Weight1
222.32
Sources

Physical Properties

Property Value Unit Source
Δf -45.29 kJ/mol Joback Calculated Property
Δfgas -366.10 kJ/mol Joback Calculated Property
Δfus 21.36 kJ/mol Joback Calculated Property
Δvap 56.32 kJ/mol Joback Calculated Property
logPoct/wat 3.49 Crippen Calculated Property
Pc 2001.91 kPa Joback Calculated Property
Tboil 615.82 K Joback Calculated Property
Tc 823.34 K Joback Calculated Property
Tfus 309.64 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 517.01 J/mol×K 615.82 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

P-mentha-1,8-dien-7-yl acetate. p-mentha-1,8-dien-9-yl propanoate. 1,8(10)-p-Menthadien-9-yl 2-methylbutanoate. .beta.-Isocyclolavandulyl isobutyrate. 1,8(10)-p-Menthadien-9-yl 3-methylbutanoate. limonen-10-yl acetate. .beta.-Isocyclolavandulyl propionate. Lanceol acetate. «beta»-Cyclolavandulyl isobutyrate. .beta.-Isocyclolavandulyl isovalerate. .beta.-Cyclolavandulyl propionate. .beta.-Isocyclolavandulyl acetate. 2-pinen-10-yl isobutyrate. 14-Hydroxy-«beta»-caryophyllene acetate. 14-Acetoxy-«beta»-caryophyllene.

Find more compounds similar to Perillyl isobutyrate.

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