Chemical Properties of 2-Cyclohexen-1-one, 2,6,6-trimethyl- (CAS 20013-73-4)

2-Cyclohexen-1-one, 2,6,6-trimethyl-

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InChI
InChI=1S/C9H14O/c1-7-5-4-6-9(2,3)8(7)10/h5H,4,6H2,1-3H3
InChI Key
NAXZOZQQIIMORY-UHFFFAOYSA-N
Formula
C9H14O
SMILES
CC1=CCCC(C)(C)C1=O
Molecular Weight1
138.21
CAS
20013-73-4
Other Names
  • 2,6,6-Trimethyl-2-cyclohexenone
  • 2,6,6-Trimethylcyclohex-2-enone
  • 2,6,6-trimethyl-2-cyclohexen-1-one
  • 2,6,6-trimethylcyclohex-2-en-1-one
  • 5-Cyclohexen-1-one, 2,2,6-trimethyl
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5355.20 ± 2.20 kJ/mol NIST
Δf -58.40 kJ/mol Joback Calculated Property
Δfgas -44.20 ± 2.20 kJ/mol NIST
Δfus 4.95 kJ/mol Joback Calculated Property
Δvap 40.11 kJ/mol Joback Calculated Property
logPoct/wat 2.32 Crippen Calculated Property
Pc 3170.40 kPa Joback Calculated Property
Tboil 497.07 K Joback Calculated Property
Tc 727.23 K Joback Calculated Property
Tfus 303.97 K Joback Calculated Property
Vc 0.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 275.69 J/mol×K 497.07 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 3
=CH- (ring) 1
=C< (ring) 1
>C< (ring) 1
>C=O (ring) 1
-CH2- (ring) 2

Similar Compounds

2,5,6,6-Tetramethylcyclohexe-2-en-1-one. 2,6,6-Trimethyl-2-cyclohexene-1,4-dione. 3,6,6-Trimethyl-2-cyclohexen-1-one. 2,5,6-Trimethyl-2-cyclohexen-1-one. 2-Cyclohexen-1-one, 3,5,5-trimethyl-. 2,3,5,5-Tetramethyl-4-methylene-2-cyclopenten-1-one. Ethanone, 1-(1,3-dimethyl-3-cyclohexen-1-yl)-. 3,3-dimethylcyclohex-6-enecarboxaldehyde. p-Menth-6-en-2-one. 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-. 2-Cyclohexen-1-one, 5-methyl-2-(1-methylethyl)-. (-)-Car-3-en-2-one. 8-Hydroxyl-p-menth-4-ene-3-one. 2-Cyclopenten-1-one, 3,5,5-trimethyl-. 2-Cyclohexen-1-one, 3,5-dimethyl-.

Find more compounds similar to 2-Cyclohexen-1-one, 2,6,6-trimethyl-.

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