Chemical Properties of Cedrenol acetate (CAS 1405-92-1)

Cedrenol acetate

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InChI
InChI=1S/C17H26O2/c1-10-6-7-15-16(4,5)13-8-17(10,15)9-14(11(13)2)19-12(3)18/h10,13-15H,2,6-9H2,1,3-5H3/t10-,13+,14?,15?,17-/m0/s1
InChI Key
UTZBRSREMTWJBB-OOOXPIDESA-N
Formula
C17H26O2
SMILES
C=C1C2CC3(CC1OC(C)=O)C(C)CCC3C2(C)C
Molecular Weight1
262.39
CAS
1405-92-1
Other Names
  • [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-1H-3a,7-methanoazulene-6-methyl acetate
Sources

Physical Properties

Property Value Unit Source
Δf 35.36 kJ/mol Joback Calculated Property
Δfgas -379.23 kJ/mol Joback Calculated Property
Δfus 22.24 kJ/mol Joback Calculated Property
Δvap 59.61 kJ/mol Joback Calculated Property
logPoct/wat 3.96 Crippen Calculated Property
Pc 1804.63 kPa Joback Calculated Property
Tboil 679.04 K Joback Calculated Property
Tc 899.33 K Joback Calculated Property
Tfus 449.05 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 669.85 J/mol×K 679.04 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

8(15)-Cedren-9-«alpha»-yl acetate. (-)-9-Acetoxygymnomitr-8(12)-ene. 4«beta»-Acetoxygymnomitr-3(15)-ene. (-)-4-epi-Marsupellol acetate. (-)-Marsupellol acetate. (-)-4-epi-Marsupellyl acetate. Marsupellyl acetate. trans-Pinocarvyl acetate. cis-Pinocarvyl acetate. cis-Pinocarvyl acetate. Pinocarvyl acetate. (Z)-Pinocarvyl acetate. cis-Sabinyl acetate. trans-Sabinyl acetate. (1S,3S,5S)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3-yl acetate.

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