Chemical Properties of 2-Cyclohexen-1-one, 3,5-dimethyl- (CAS 1123-09-7)

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

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InChI
InChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3
InChI Key
NOQKKFBBAODEHN-UHFFFAOYSA-N
Formula
C8H12O
SMILES
CC1=CC(=O)CC(C)C1
Molecular Weight1
124.18
CAS
1123-09-7
Other Names
  • 3,5-Dimethyl-2-cyclohexen-1-one
  • 3,5-Dimethyl-2-cyclohexene-1-one
  • 3,5-dimethylcyclohex-2-en-1-one
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4648.80 kJ/mol NIST
Δf -61.33 kJ/mol Joback Calculated Property
Δfgas -245.52 kJ/mol Joback Calculated Property
Δfus 8.65 kJ/mol Joback Calculated Property
Δvap 39.03 kJ/mol Joback Calculated Property
logPoct/wat 1.93 Crippen Calculated Property
Pc 3360.64 kPa Joback Calculated Property
Tboil 484.70 K NIST
Tc 697.99 K Joback Calculated Property
Tfus 268.80 K Joback Calculated Property
Vc 0.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 231.75 J/mol×K 473.95 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

2-Cyclohexen-1-one, 3,5,5-trimethyl-. 2-Cyclohexen-1-one, 3-methyl-5-(1-methylethyl)-. 2-Cyclohexen-1-one, 3-methyl-. Isopiperitone. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-, (S)-. 2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-. 2-Cyclohexen-1-one, 5-methyl-. 2,5,6-Trimethyl-2-cyclohexen-1-one. 6R,7R-Bisabolone. (6S,7R)-Bisabolone. epi-«alpha»-Bisabol-1-one. «alpha»-bisabol-1-one. Bisabolone (6S,7R). 1-Bisabolon. 3-Methyl-6-(6-methylhept-5-en-2-yl)cyclohex-2-enone.

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