Chemical Properties of .beta.-Isocyclolavandulyl propionate

.beta.-Isocyclolavandulyl 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/h6,10H,5,7-9H2,1-4H3/t10-/m0/s1
InChI Key
XOZBCNJUNGIXPL-JTQLQIEISA-N
Formula
C13H22O2
SMILES
CCC(=O)OCC1=CCC(C)(C)CC1C
Molecular Weight1
210.31
Sources

Physical Properties

Property Value Unit Source
Δf -143.76 kJ/mol Joback Calculated Property
Δfgas -460.92 kJ/mol Joback Calculated Property
Δfus 19.65 kJ/mol Joback Calculated Property
Δvap 53.61 kJ/mol Joback Calculated Property
logPoct/wat 3.32 Crippen Calculated Property
Pc 2100.34 kPa Joback Calculated Property
Tboil 592.39 K Joback Calculated Property
Tc 799.01 K Joback Calculated Property
Tfus 348.75 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 485.49 J/mol×K 592.39 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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

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