Chemical Properties of 6-acetyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione (CAS 80597-59-7)

6-acetyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione

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InChI
InChI=1S/C12H16O4/c1-6(13)7-8(14)11(2,3)10(16)12(4,5)9(7)15/h7H,1-5H3
InChI Key
AOFIHSHOAKIKPN-UHFFFAOYSA-N
Formula
C12H16O4
SMILES
CC(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
Molecular Weight1
224.25
CAS
80597-59-7
Sources

Physical Properties

Property Value Unit Source
Δf -448.48 kJ/mol Joback Calculated Property
Δfgas -772.57 kJ/mol Joback Calculated Property
Δfus 8.35 kJ/mol Joback Calculated Property
Δvap 59.30 kJ/mol Joback Calculated Property
logPoct/wat 0.96 Crippen Calculated Property
Pc 2568.89 kPa Joback Calculated Property
Tboil 741.98 K Joback Calculated Property
Tc 996.11 K Joback Calculated Property
Tfus 526.29 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 525.61 J/mol×K 741.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 2
>C=O (ring) 3
-CH3 5
>CH- (ring) 1
>C=O (nonring) 1

Similar Compounds

Flavesone. Leptospermone. 1,3,5-Cyclohexanetrione,2,2,4,4,6,6-hexamethyl-. Tricyclo[3.3.1.13,7]decane-2,4-dione. Hexanal, 3-oxo-2,2,4-triethyl. Cyclohexane-1,3-dione, 2-acetyl-5,5-dimethyl-. 1,3-Cyclohexanedione, 4,4-dimethyl-. 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-. Dispiro[5.1.5.1]tetradecane-7,14-dione. ethyl-(1-adamantyl) ketone. propyl-(1-adamantyl) ketone. 2-Acetyl-1,3-cyclohexanedione. Acetyldamantane. 1-Adamantyl methyl ketone. Cyclohexanone, 2-acetyl-.

Find more compounds similar to 6-acetyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione.

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