Chemical Properties of [3.3.3]Propellane-2,8-dione (CAS 112138-34-8)

[3.3.3]Propellane-2,8-dione

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

InChI
InChI=1S/C11H14O2/c12-8-2-6-10-4-1-5-11(8,10)9(13)3-7-10/h1-7H2
InChI Key
AJSCTGYMIJHROB-UHFFFAOYSA-N
Formula
C11H14O2
SMILES
O=C1CCC23CCCC12C(=O)CC3
Molecular Weight1
178.23
CAS
112138-34-8
Sources

Physical Properties

Property Value Unit Source
Δf -48.66 kJ/mol Joback Calculated Property
Δfgas -288.87 kJ/mol Joback Calculated Property
Δfus -0.20 kJ/mol Joback Calculated Property
Δvap 46.66 kJ/mol Joback Calculated Property
IE 9.10 eV NIST
logPoct/wat 1.87 Crippen Calculated Property
Pc 3713.49 kPa Joback Calculated Property
Tboil 620.63 K Joback Calculated Property
Tc 891.47 K Joback Calculated Property
Tfus 448.99 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 385.71 J/mol×K 620.63 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 2
>C=O (ring) 2
-CH2- (ring) 7

Similar Compounds

1-(1,2,2-Trimethylcyclopent-1-yl)-pentan-1,4-dione. 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one. Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S)-. (+)-2-Bornanone. Camphor. 4-Methylcamphor. ( S)-camphor. Camphor. 4-Ethylcamphor. Longicamphenylene. Longicamphenylone. Bicyclo[2.2.1]heptan-3-one, 1,4,7-trimethyl. Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1S)-. dl-Camphoroquinone. Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1R)-.

Find more compounds similar to [3.3.3]Propellane-2,8-dione.

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.