Chemical Properties of Cyclohexanone, 4-(1,1-dimethylethyl)-2-ethyl-, cis- (CAS 32188-05-9)

Cyclohexanone, 4-(1,1-dimethylethyl)-2-ethyl-, cis-

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InChI
InChI=1S/C12H22O/c1-5-9-8-10(12(2,3)4)6-7-11(9)13/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1
InChI Key
UMEJTHPXAININP-UWVGGRQHSA-N
Formula
C12H22O
SMILES
CCC1CC(C(C)(C)C)CCC1=O
Molecular Weight1
182.30
CAS
32188-05-9
Sources

Physical Properties

Property Value Unit Source
Δf -52.85 kJ/mol Joback Calculated Property
Δfgas -403.48 kJ/mol Joback Calculated Property
Δfus 11.84 kJ/mol Joback Calculated Property
Δvap 45.38 kJ/mol Joback Calculated Property
logPoct/wat 3.43 Crippen Calculated Property
Pc 2175.46 kPa Joback Calculated Property
Tboil 553.43 K Joback Calculated Property
Tc 773.08 K Joback Calculated Property
Tfus 298.78 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 440.52 J/mol×K 553.43 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CH3 4
-CH2- 1
>C< 1
>C=O (ring) 1
>CH- (ring) 2
-CH2- (ring) 3

Similar Compounds

trans-2-Ethyl-4-tert-butylcyclohexanone. Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 2. Cyclohexane, 1-hexylcarbonyl-4-(1,1-dimethylethyl), # 1. Cyclohexanone, 4-(1,1-dimethylethyl)-2-(1-methylethyl)-, cis-. trans-2-Isopropyl-4-t-butylcyclohexanone. Cyclohexanone, 2,4-bis(1,1-dimethylethyl)-, cis-. trans-2,4-Di-t-butylcyclohexanone. Ketone, 4-tert-butylcyclohexyl methyl, trans-. cis-4-Tert-butylcyclohexyl methyl ketone. 2(1H)-Naphthalenone, octahydro-3-methyl-, (3«alpha»,4a«beta»,8a«alpha»)-. Cyclohexanone, 3,5-di-tert-butyl-, cis. 3,5-Di-tert-butylcyclohexanone. Muurol-5-en-4-one. Bicyclo[3.3.1]nonan-2-one. 2-ethyl isomenthone.

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