Chemical Properties of Cyclohexanone-1,3-butanediol ketal

Cyclohexanone-1,3-butanediol ketal

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InChI
InChI=1S/C9H16O2/c1-8-7-10-9(11-8)5-3-2-4-6-9/h8H,2-7H2,1H3
InChI Key
LKGNKCNAPNUZCM-UHFFFAOYSA-N
Formula
C9H16O2
SMILES
CC1COC2(CCCCC2)O1
Molecular Weight1
156.22
Sources

Physical Properties

Property Value Unit Source
Δf -79.73 kJ/mol Joback Calculated Property
Δfgas -356.89 kJ/mol Joback Calculated Property
Δfus 16.60 kJ/mol Joback Calculated Property
Δvap 44.01 kJ/mol Joback Calculated Property
logPoct/wat 2.08 Crippen Calculated Property
Pc 3480.65 kPa Joback Calculated Property
Tboil 490.02 K Joback Calculated Property
Tc 722.61 K Joback Calculated Property
Tfus 290.03 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 307.75 J/mol×K 490.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 1
-O- (ring) 2
-CH3 1
>CH- (ring) 1
-CH2- (ring) 6

Similar Compounds

1,4-Dioxaspiro[4.5]decane. 6,8-Dioxabicyclo[3.2.1]octane, 7-ethyl-5-methyl-, (1r-exo)-. 1,4-CYCLOHEXANEDIONE BIS(ETHYLENE KETAL). 1,3-Dioxolane, 2-methyl-2-pentyl-. 1,6-dioxaspiro [4,5] decane, 7-methyl. Conophthorin. Chalcogran, isomer # 2. Chalcogran, isomer # 1. 1,5-Dioxaspiro[5.5]undecane, 3,3-dimethyl-. Acetal of cyclododecanone and 2,2-dimethyl-1,3-propanediol. Cyclopentanone ethylene ketal. 1,7-Dioxaspiro[5.5]undecane. 1,3-Dioxolane, 2-butyl-4-methyl-. Cyclododecanone 2,2-dimethylpropanediol-1,3 acetal. 1,3-Dioxane, 2-ethyl-2methyl-4-pentyl, 2R,4R.

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