Chemical Properties of ipsdienyl acetate

ipsdienyl acetate

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InChI
InChI=1S/C12H18O2/c1-6-10(4)8-12(7-9(2)3)14-11(5)13/h6-7,12H,1,4,8H2,2-3,5H3
InChI Key
ZTRGTWAVPUGVON-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
C=CC(=C)CC(C=C(C)C)OC(C)=O
Molecular Weight1
194.27
Sources

Physical Properties

Property Value Unit Source
Δf 52.60 kJ/mol Joback Calculated Property
Δfgas -192.59 kJ/mol Joback Calculated Property
Δfus 21.12 kJ/mol Joback Calculated Property
Δvap 49.85 kJ/mol Joback Calculated Property
logPoct/wat 3.02 Crippen Calculated Property
Pc 2123.64 kPa Joback Calculated Property
Tboil 547.09 K Joback Calculated Property
Tc 739.96 K Joback Calculated Property
Tfus 245.64 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 406.18 J/mol×K 547.09 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Hydroxy-3,7,11-trimethyldodeca-1,6(E),10-trien-9-yl propanoate. (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl isobutyrate. (E)-3-Hydroxyfarnesa-1,6,10-trien-9-yl 2-methylbutyrate. 2H-pyran, 3,6-dihydro-4-methyl-2-(2-methyl-1-propenyl)-. Nerolidyl acetate. trans-Nerolidyl Acetate. (Z)-Nerolidyl acetate. (Z)-Nerolidol acetate. Nerolidyl propionate. 6-Acetoxycaryophyllene. Isolinalyl acetate. Artemisia acetate. Artemisyl acetate. Artemisia acetate. (Z)-5-(2-pentenylpentanolide-5,1).

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