Chemical Properties of 3-Methyl-3-cyclohexen-1-one (CAS 31883-98-4)

3-Methyl-3-cyclohexen-1-one

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InChI
InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h3H,2,4-5H2,1H3
InChI Key
MHBNXZDNKOXHCX-UHFFFAOYSA-N
Formula
C7H10O
SMILES
CC1=CCCC(=O)C1
Molecular Weight1
110.15
CAS
31883-98-4
Other Names
  • 3-Cyclohexen-1-one, 3-methyl-
  • 3-Methylcyclohex-3-en-1-one
Sources

Physical Properties

Property Value Unit Source
Δf -62.04 kJ/mol Joback Calculated Property
Δfgas -204.54 kJ/mol Joback Calculated Property
Δfus 4.99 kJ/mol Joback Calculated Property
Δvap 37.12 kJ/mol Joback Calculated Property
logPoct/wat 1.69 Crippen Calculated Property
Pc 3925.85 kPa Joback Calculated Property
Tboil 455.74 K Joback Calculated Property
Tc 683.63 K Joback Calculated Property
Tfus 261.77 K Joback Calculated Property
Vc 0.35 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 189.20 J/mol×K 455.74 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Methyl-3-cyclohexen-1-one. 4-Butyl-cyclohexen-3-one. 2-Propanone, 1-(1-cyclohexen-1-yl)-. 2-Cyclohexen-1-one, 3-methyl-. 2-Cyclohexen-1-one, 2-methyl-. 4-Methyl-3-vinyl-3-cyclohexen-1-one. 5-methyl-5-hepten-2-one. 3-Cyclohexen-1-one, 3,5,5-trimethyl-. 5-Hepten-2-one, 6-methyl-. (E)-Cyclanthone. (Z)-Cyclanthone. 6-p-Menthen-3-one. 3-Cyclohepten-1-one. 4,8-DIMETHYL-NONA-3,8-DIEN-2-ONE. 1-Propanone, 1-(1-cyclohexen-1-yl)-.

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