Chemical Properties of Flavesone (CAS 22595-45-5)

Flavesone

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InChI
InChI=1S/C14H20O4/c1-7(2)9(15)8-10(16)13(3,4)12(18)14(5,6)11(8)17/h7-8H,1-6H3
InChI Key
ZEOCEPNBYPGWGS-UHFFFAOYSA-N
Formula
C14H20O4
SMILES
CC(C)C(=O)C1C(=O)C(C)(C)C(=O)C(C)(C)C1=O
Molecular Weight1
252.31
CAS
22595-45-5
Other Names
  • 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methyl-1-oxopropyl)-
  • Flaveson
  • Flavesone
Sources

Physical Properties

Property Value Unit Source
Δf -434.08 kJ/mol Joback Calculated Property
Δfgas -819.13 kJ/mol Joback Calculated Property
Δfus 10.00 kJ/mol Joback Calculated Property
Δvap 63.37 kJ/mol Joback Calculated Property
logPoct/wat 1.60 Crippen Calculated Property
Pc 2149.31 kPa Joback Calculated Property
Tboil 787.30 K Joback Calculated Property
Tc 1035.51 K Joback Calculated Property
Tfus 533.83 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 638.72 J/mol×K 787.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
>C=O (ring) 3
-CH3 6
>C< (ring) 2
>C=O (nonring) 1
>CH- (ring) 1

Similar Compounds

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

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