Chemical Properties of Bicyclo[3.3.1]non-3-en-2-one (CAS 10036-12-1)

Bicyclo[3.3.1]non-3-en-2-one

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C9H12O/c10-9-5-4-7-2-1-3-8(9)6-7/h4-5,7-8H,1-3,6H2
InChI Key
TUQWWBMBVKVORD-UHFFFAOYSA-N
Formula
C9H12O
SMILES
O=C1C=CC2CCCC1C2
Molecular Weight1
136.19
CAS
10036-12-1
Sources

Physical Properties

Property Value Unit Source
Δf 17.47 kJ/mol Joback Calculated Property
Δfgas -181.89 kJ/mol Joback Calculated Property
Δfus 9.77 kJ/mol Joback Calculated Property
Δvap 40.51 kJ/mol Joback Calculated Property
IE 9.01 eV NIST
logPoct/wat 1.93 Crippen Calculated Property
Pc 3560.02 kPa Joback Calculated Property
Tboil 498.59 K Joback Calculated Property
Tc 735.98 K Joback Calculated Property
Tfus 285.49 K Joback Calculated Property
Vc 0.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 260.59 J/mol×K 498.59 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 1
>CH- (ring) 2
-CH2- (ring) 4
=CH- (ring) 2

Similar Compounds

5-Oxo-«delta»4-decahydrobenzindene. Bicyclo[3.3.1]non-2-en-9-one. Endo-1,4a,8,8a-tetrahydro-1,4-ethanonaphthalene-5,8-dione. Bicyclo[3.3.1]nona-3,7-diene-2,6-dione. 2-Cyclohexen-1-one, 4,4,6-trimethyl-. 2-Cyclohexen-1-one, 4-(1-methylethyl)-. 4-(1,5-Dimethylhex-4-enyl)cyclohex-2-enone. Spiro[4.5]dec-6-ene-8-one. 2,2,7,7-Tetramethyltricyclo[6.2.1.0(1,6)]undec-4-en-3-one. Cholest-1-en-3-one, (5.alpha.)-. mustakone. isomustakone. 1,4,4a,8a-Tetrahydro-1,4-methanonaphthalene-5,8-dione. Spiro[5.5]undeca-1,8-dien-3-one. 2(3H)-naphthalenone, 4,4a,5,6,7,8-hexahydro-.

Find more compounds similar to Bicyclo[3.3.1]non-3-en-2-one.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.