Chemical Properties of 2-Cyclohexenone,3-bromo,5,5-dimethyl- (CAS 13271-49-3)

2-Cyclohexenone,3-bromo,5,5-dimethyl-

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InChI
InChI=1S/C8H11BrO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3
InChI Key
LPZGJNIBSGPOED-UHFFFAOYSA-N
Formula
C8H11BrO
SMILES
CC1(C)CC(=O)C=C(Br)C1
Molecular Weight1
203.08
CAS
13271-49-3
Other Names
  • 5,5-Dimethyl-3-bromocyclohex-2-enone
  • 3-Bromo-5,5-dimethyl-cyclohex-2-enone
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Physical Properties

Property Value Unit Source
Δf -52.50 kJ/mol Joback Calculated Property
Δfgas -203.95 kJ/mol Joback Calculated Property
Δfus 7.64 kJ/mol Joback Calculated Property
Δvap 44.32 kJ/mol Joback Calculated Property
IE 9.35 eV NIST
log10WS -2.88 Crippen Calculated Property
logPoct/wat 2.654 Crippen Calculated Property
McVol 127.490 ml/mol McGowan Calculated Property
Pc 3853.09 kPa Joback Calculated Property
Tboil 540.35 K Joback Calculated Property
Tc 791.23 K Joback Calculated Property
Tfus 352.50 K Joback Calculated Property
Vc 0.469 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [270.93; 345.27] J/mol×K [540.35; 791.23] Show Hide
Cp,gas 270.93 J/mol×K 540.35 Joback Calculated Property
Cp,gas 285.19 J/mol×K 582.16 Joback Calculated Property
Cp,gas 298.53 J/mol×K 623.98 Joback Calculated Property
Cp,gas 311.08 J/mol×K 665.79 Joback Calculated Property
Cp,gas 322.97 J/mol×K 707.60 Joback Calculated Property
Cp,gas 334.32 J/mol×K 749.42 Joback Calculated Property
Cp,gas 345.27 J/mol×K 791.23 Joback Calculated Property

Similar Compounds

Isophorone. 5,5-Dimethyl-1,3-cyclohexanedione. 3-Chloro-5,5-dimethylcyclohex-2-enone. 2-Cyclohexen-1-one, 3,5-dimethyl-. 2-Cyclohexen-1-one, 3-ethoxy-5,5-dimethyl-. 2-Cyclohexen-1-one, 5-methyl-. Spiro[4.5]dec-6-en-8-one, 1,7-dimethyl-4-(1-methylethyl)-. 1,4-cis-1,7-cis-Acorenone. Acorenone. iso-Acorenone. Acorenone B. dimetan. (-)-nootkatone. 2-Cyclohexen-1-one, 3-methyl-5-(1-methylethyl)-. Cholest-1-en-3-one, (5«alpha»)-.

Find more compounds similar to 2-Cyclohexenone,3-bromo,5,5-dimethyl-.

Sources

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