Chemical Properties of 2-TERT-BUTYLCYCLOHEXANONE (CAS 1728-46-7)

2-TERT-BUTYLCYCLOHEXANONE

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InChI
InChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3
InChI Key
ZRYDPLOWJSFQAE-UHFFFAOYSA-N
Formula
C10H18O
SMILES
CC(C)(C)C1CCCCC1=O
Molecular Weight1
154.25
CAS
1728-46-7
Other Names
  • 2-t-Butylcyclohexanone
  • Cyclohexanone, 2-(1,1-dimethylethyl)-
Sources

Physical Properties

Property Value Unit Source
Δf -61.98 kJ/mol Joback Calculated Property
Δfgas -341.86 kJ/mol Joback Calculated Property
Δfus 5.59 kJ/mol Joback Calculated Property
Δvap 41.23 kJ/mol Joback Calculated Property
logPoct/wat 2.79 Crippen Calculated Property
Pc 2715.50 kPa Joback Calculated Property
Tboil 335.70 K NIST
Tc 740.09 K Joback Calculated Property
Tfus 280.48 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 341.04 J/mol×K 512.34 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- (ring) 1
>C=O (ring) 1
>C< 1
-CH2- (ring) 4
-CH3 3

Similar Compounds

Cyclohexanone, 2,4-bis(1,1-dimethylethyl)-, cis-. trans-2,4-Di-t-butylcyclohexanone. Cyclohexanone, 2-(1-methylethyl)-. Cyclohexanone, sec-butyl, # 1. Cyclohexanone, 4-(1,1-dimethylethyl)-2-(1-methylethyl)-, cis-. trans-2-Isopropyl-4-t-butylcyclohexanone. 2-hexylcyclohexan-1-one. [1,1'-Bicyclohexyl]-2-one. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-. Bisabol-1-one. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-. 1(2H)-Naphthalenone, octahydro-, trans-.

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