Chemical Properties of Cedren-13-ol acetate

Cedren-13-ol acetate

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InChI
InChI=1S/C17H26O2/c1-11-7-8-17-9-14(11)16(4,10-19-13(3)18)15(17)6-5-12(17)2/h12,14-15H,1,5-10H2,2-4H3/t12-,14+,15?,16-,17+/m0/s1
InChI Key
TXTIBQSFBIVLCE-JBNOBCIYSA-N
Formula
C17H26O2
SMILES
C=C1CCC23CC1C(C)(COC(C)=O)C2CCC3C
Molecular Weight1
262.39
Other Names
  • 8-Cedren-13-ol, acetate
Sources

Physical Properties

Property Value Unit Source
Δf 43.07 kJ/mol Joback Calculated Property
Δfgas -358.89 kJ/mol Joback Calculated Property
Δfus 21.16 kJ/mol Joback Calculated Property
Δvap 59.91 kJ/mol Joback Calculated Property
logPoct/wat 3.96 Crippen Calculated Property
Pc 1856.31 kPa Joback Calculated Property
Tboil 683.71 K Joback Calculated Property
Tc 903.97 K Joback Calculated Property
Tfus 453.29 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 667.96 J/mol×K 683.71 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(+)-12-Acetoxygymnomitr-3(15)-ene. Ziza-6(13)-en-12-yl acetate. Preziza-7(15)-en-12-yl acetate. Cedr-8-en-13-yl, acetate. Birkenyl acetate. Ziza-6(13)-en-12-yl formate. 2-(2,2-dimethyl-6-methylenecyclohexyl)-ethyl acetate. Funebr-3(15)-en-14-yl methyl ether. «beta»-Funebren-14-yl methyl ether. Moretenol (21-epi-22[29]hopenol) acetate. Lup-20(29)-en-3-ol, acetate, (3«beta»)-. Epilupeol (20[29]-lupen-3A-ol) acetate. Preziza-7(15)-en-12-yl methyl ether. 12-nor-Ziza-6(13)-en-2-.alpha.-yl methyl ether. Italicen-12-yl acetate.

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