Chemical Properties of Bicyclo[3.3.1]nona-2,6-dione (CAS 16473-11-3)

Bicyclo[3.3.1]nona-2,6-dione

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InChI
InChI=1S/C9H12O2/c10-8-3-1-6-5-7(8)2-4-9(6)11/h6-7H,1-5H2
InChI Key
QWNPVTXLBMSEPN-UHFFFAOYSA-N
Formula
C9H12O2
SMILES
O=C1CCC2CC1CCC2=O
Molecular Weight1
152.19
CAS
16473-11-3
Other Names
  • Bicyclo[3.3.1]nona-2,6-dione
  • Meerwein's ketone
Sources

Physical Properties

Property Value Unit Source
Δf -135.08 kJ/mol Joback Calculated Property
Δfgas -377.37 kJ/mol Joback Calculated Property
Δfus 8.06 kJ/mol Joback Calculated Property
Δvap 44.46 kJ/mol Joback Calculated Property
IE 9.00 eV NIST
IE 9.33 eV NIST
IE 9.33 eV NIST
logPoct/wat 1.33 Crippen Calculated Property
Pc 3555.77 kPa Joback Calculated Property
Tboil 567.25 K Joback Calculated Property
Tc 818.08 K Joback Calculated Property
Tfus 352.95 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 309.15 J/mol×K 567.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 2
>CH- (ring) 2
-CH2- (ring) 5

Similar Compounds

2,6-Adamantandione. Bicyclo[3.3.1]nonan-2-one. 2-Adamantanone. Bicyclo[3.3.1]nonan-9-one. Methanone, dicyclohexyl-. Cyclohexanone, 2-butyl-. Bicyclo[3.2.1]octan-2-one. 1,3-Cyclohexanedione, 4-propyl-. Cyclohexanone, 2-ethyl-. 1-Butanone, 1-cyclohexyl-. 1-Propanone, 1-cyclohexyl-. Cyclohexanone, 2-propyl-. 4,8-Dimethylbicyclo[3.3.1]nonane-2,6-dione. Tricyclo[3.3.1.13,7]decane-2,4-dione. Cyclohexanone, 5-methyl-2-propyl, trans.

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