Chemical Properties of Bicyclo[3.3.1]nonan-2-one (CAS 2568-17-4)

Bicyclo[3.3.1]nonan-2-one

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InChI
InChI=1S/C9H14O/c10-9-5-4-7-2-1-3-8(9)6-7/h7-8H,1-6H2
InChI Key
JTYKTCBMGNIYBC-UHFFFAOYSA-N
Formula
C9H14O
SMILES
O=C1CCC2CCCC1C2
Molecular Weight1
138.21
CAS
2568-17-4
Sources

Physical Properties

Property Value Unit Source
Δf -12.49 kJ/mol Joback Calculated Property
Δfgas -239.67 kJ/mol Joback Calculated Property
Δfus 8.55 kJ/mol Joback Calculated Property
Δvap 40.22 kJ/mol Joback Calculated Property
IE 8.94 eV NIST
logPoct/wat 2.16 Crippen Calculated Property
Pc 3411.87 kPa Joback Calculated Property
Tboil 499.43 K Joback Calculated Property
Tc 734.32 K Joback Calculated Property
Tfus 284.73 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 277.47 J/mol×K 499.43 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Adamantanone. Bicyclo[3.3.1]nona-2,6-dione. 2,6-Adamantandione. Bicyclo[3.3.1]nonan-9-one. Methanone, dicyclohexyl-. Cyclohexanone, 2-butyl-. Bicyclo[3.2.1]octan-2-one. 1-Butanone, 1-cyclohexyl-. 1-Propanone, 1-cyclohexyl-. Cyclohexanone, 2-propyl-. Cyclohexanone, 2-ethyl-. Cyclohexanone, 5-methyl-2-propyl, cis. Cyclohexanone, 5-methyl-2-propyl, trans. Bicyclo[3.2.1]octan-8-one. Cyclohexanone, 2,6-dimethyl-.

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