Chemical Properties of Bicyclo[3.3.1]nonan-9-one (CAS 17931-55-4)

Bicyclo[3.3.1]nonan-9-one

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InChI
InChI=1S/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2
InChI Key
SKTMMSQPXGWCAP-UHFFFAOYSA-N
Formula
C9H14O
SMILES
O=C1C2CCCC1CCC2
Molecular Weight1
138.21
CAS
17931-55-4
Other Names
  • Bicyclo[3.3.1]nona-9-one
Sources

Physical Properties

Property Value Unit Source
Δf -12.49 kJ/mol Joback Calculated Property
Δfgas -240.00 ± 8.40 kJ/mol NIST
Δfus 8.55 kJ/mol Joback Calculated Property
Δvap 40.22 kJ/mol Joback Calculated Property
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
ΔfusH 14.11 kJ/mol 300.5 NIST

Molecular Descriptors

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

Similar Compounds

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

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