Chemical Properties of Lyratyl acetate (CAS 79549-21-6)

Lyratyl acetate

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InChI
InChI=1S/C12H18O2/c1-6-12(9(2)3)7-10(4)8-14-11(5)13/h6-7,12H,1-2,8H2,3-5H3/b10-7+
InChI Key
MYZPBDIATBBLPX-JXMROGBWSA-N
Formula
C12H18O2
SMILES
C=CC(C=C(C)COC(C)=O)C(=C)C
Molecular Weight1
194.27
CAS
79549-21-6
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 2.87 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

(E)-Lyratyl acetate. (S,E)-2,5-Dimethyl-4-vinylhexa-2,5-dien-1-yl acetate. (E)-Lyratyl propanoate. (Z)-Lyratyl propanoate. Lyratyl propanoate. Lyratol. Myrcen-8-yl acetate. Dihydrocuminic alcohol, acetate. 2,6-Dimethyl-2,6-octadiene-1,8-diol diacetate. 8-acetoxylinalool. trans-Valerenyl acetate. cis-Valerenyl acetate. trans-Valerenyl acetate. Valerenyl acetate. 2-methyl-(2E)-butenyl acetate.

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