Chemical Properties of 3-BUTYL-CYCLOHEXANONE (CAS 39178-69-3)

3-BUTYL-CYCLOHEXANONE

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InChI
InChI=1S/C10H18O/c1-2-3-5-9-6-4-7-10(11)8-9/h9H,2-8H2,1H3
InChI Key
ORIINXCHZXECLA-UHFFFAOYSA-N
Formula
C10H18O
SMILES
CCCCC1CCCC(=O)C1
Molecular Weight1
154.25
CAS
39178-69-3
Other Names
  • 3-Butyl-cyclohexanone
Sources

Physical Properties

Property Value Unit Source
Δf -64.82 kJ/mol Joback Calculated Property
Δfgas -333.11 kJ/mol Joback Calculated Property
Δfus 13.00 kJ/mol Joback Calculated Property
Δvap 42.53 kJ/mol Joback Calculated Property
logPoct/wat 2.94 Crippen Calculated Property
Pc 2662.52 kPa Joback Calculated Property
Tboil 515.57 K Joback Calculated Property
Tc 729.05 K Joback Calculated Property
Tfus 278.06 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 338.22 J/mol×K 515.57 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cyclohexanone, 3-ethyl-. Bicyclo(3.3.1)nonan-3-one. 2-Propanone, 1-cyclohexyl-. Cyclohexanone, 3-(3,3-dimethylbutyl)-. Cyclohexanone, 3-methyl-. Cyclohexanone, 3-methyl-, (S)-. Cyclohexanone, 3-methyl-, (R)-. cis-octahydronaphthalene-2(1H)-one. 2-Decalone,c&t. 2(1H)-Naphthalenone, octahydro-, trans-. Bicyclo[3.2.1]octan-3-one. Cyclohexanone, 3-(1-methylethyl). Bicyclo[2.2.2]octanone. Cyclohexanone, 3,5-dimethyl-, cis-. Cyclohexanone, 3,5-dimethyl-.

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