Chemical Properties of 6,8-Dioxabicyclo[3.2.1]octane, 7-ethyl-5-methyl-, (1r-exo)- (CAS 20290-99-7)

6,8-Dioxabicyclo[3.2.1]octane, 7-ethyl-5-methyl-, (1r-exo)-

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InChI
InChI=1S/C9H16O2/c1-3-7-8-5-4-6-9(2,10-7)11-8/h7-8H,3-6H2,1-2H3
InChI Key
YONXEBYXWVCXIV-UHFFFAOYSA-N
Formula
C9H16O2
SMILES
CCC1OC2(C)CCCC1O2
Molecular Weight1
156.22
CAS
20290-99-7
Other Names
  • Brevicomin
  • exo-7-Ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane
  • exo-Brevicomin
Sources

Physical Properties

Property Value Unit Source
Δf -63.24 kJ/mol Joback Calculated Property
Δfgas -364.91 kJ/mol Joback Calculated Property
Δfus 21.87 kJ/mol Joback Calculated Property
Δvap 43.36 kJ/mol Joback Calculated Property
logPoct/wat 2.08 Crippen Calculated Property
Pc 3163.27 kPa Joback Calculated Property
Tboil 370.50 ± 2.50 K NIST
Tc 691.82 K Joback Calculated Property
Tfus 292.83 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 308.21 J/mol×K 476.81 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cyclohexanone-1,3-butanediol ketal. Conophthorin. 1,6-dioxaspiro [4,5] decane, 7-methyl. 7,7-dimethyl-6,8-dioxa-bicyclo[ 3.2.1]octane. 6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl-, (1s)-. 1,7-Dioxaspiro[5.5]undecane. 1,3-Dioxane, 2-ethyl-2methyl-4-pentyl, 2R,4R. 1,3-Dioxane, 2-ethyl-2-methyl-4-pentyl, 2S,4R. Chalcogran, isomer # 1. Chalcogran, isomer # 2. 1,3-Dioxane, 2,4-pentyl, 2R,4R. 1,3-Dioxane, 2,4-dipentyl, 2S,4R. 1,3-Dioxane, 2-(1-methylbutyl)-4-pentyl, 2R,4R. 1,3-Dioxane, 2-(1-methylbutyl)-4-pentyl, 2S,4R. 1,3-Dioxane, 2,2-dimethyl-4-pentyl, 4R.

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