Chemical Properties of Tricyclo[3.3.1.13,7]decane-2,4-dione (CAS 19214-00-7)

Tricyclo[3.3.1.13,7]decane-2,4-dione

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InChI
InChI=1S/C10H12O2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-8H,1-4H2
InChI Key
FSLRANFXEMHCCW-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
O=C1C2CC3CC(C2)C(=O)C1C3
Molecular Weight1
164.20
CAS
19214-00-7
Other Names
  • 2,4-Adamantanedione
  • Adamantan-2,4-dione
  • Tricyclo[3.3.1.1(3,7)]decane-2,4-dione
Sources

Physical Properties

Property Value Unit Source
Δf -49.42 kJ/mol Joback Calculated Property
Δfgas -333.23 kJ/mol Joback Calculated Property
Δfus 14.05 kJ/mol Joback Calculated Property
Δvap 45.95 kJ/mol Joback Calculated Property
logPoct/wat 1.19 Crippen Calculated Property
Pc 3356.75 kPa Joback Calculated Property
Tboil 583.66 K Joback Calculated Property
Tc 829.88 K Joback Calculated Property
Tfus 384.96 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 342.99 J/mol×K 583.66 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Acetyl-1,3-cyclohexanedione. Cyclohexanone, 2-acetyl-. 1,3-Cyclohexanedione, 4-propyl-. 6-acetyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione. Flavesone. 4,6-Dimethyloctan-3,5-dione. 3,5-Octanedione, 4,6-dimethyl. 2,6-Adamantandione. Bicyclo[3.3.1]nona-2,6-dione. 2,4-Heptanedione, 3,5-dimethyl. Leptospermone. 2-Adamantanone. 2,6-Heptanedione, 3-acetyl. Bicyclo[3.3.1]nonan-2-one. Cyclohexane-1,3-dione, 2-acetyl-5,5-dimethyl-.

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