Chemical Properties of 2-Cyclohexen-1-one, 3-ethoxy-5,5-dimethyl- (CAS 6267-39-6)

2-Cyclohexen-1-one, 3-ethoxy-5,5-dimethyl-

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InChI
InChI=1S/C10H16O2/c1-4-12-9-5-8(11)6-10(2,3)7-9/h5H,4,6-7H2,1-3H3
InChI Key
HALCXXAVLJHSTJ-UHFFFAOYSA-N
Formula
C10H16O2
SMILES
CCOC1=CC(=O)CC(C)(C)C1
Molecular Weight1
168.23
CAS
6267-39-6
Other Names
  • 3-Ethoxy-5,5-dimethyl-2-cyclohexen-1-one
  • 3-Ethoxy-5,5-dimethyl-cyclohex-2-enone
Sources

Physical Properties

Property Value Unit Source
Δf -154.98 kJ/mol Joback Calculated Property
Δfgas -403.78 kJ/mol Joback Calculated Property
Δfus 8.72 kJ/mol Joback Calculated Property
Δvap 44.74 kJ/mol Joback Calculated Property
IE 8.87 eV NIST
logPoct/wat 2.30 Crippen Calculated Property
Pc 2802.44 kPa Joback Calculated Property
Tboil 542.37 K Joback Calculated Property
Tc 765.73 K Joback Calculated Property
Tfus 337.47 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 346.46 J/mol×K 542.37 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

5,5-Dimethyl-1,3-cyclohexanedione. 3-ETHOXY-2-CYCLOHEXEN-1-ONE. 3,3-dimethylcyclohex-6-en-1-yl acetate. 3,3-dimethylcyclohex-6-en-1-yl propionate. 2-Ethoxy-2-cyclohexen-1-one. Cyclohexanepropionic acid, 4,4-dimethyl-2,6-dioxo-. 2-methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione. 2-Cyclopenten-1-one, 5-butyl-3-methoxy-. Dl-trans-5,6-di-tert-butyl-2-hydroxy-1,4-diketo-2-cyclohexene. 2-Hydroxy-3,5,5-trimethyl-cyclohex-2-enone. Agglomerone. 1-Methoxy-5-methyl-3-methylenecyclohexene. 2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl-. 7,7-dimethyl-2-methoxy-norborn-2-ene. Copper, bis(2-acetyl-5,5-dimethyl-1,3-cyclohexanedionato)-.

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