Chemical Properties of 4-Isopropylcyclohexanone (CAS 5432-85-9)

4-Isopropylcyclohexanone

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InChI
InChI=1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3
InChI Key
FPKISACHVIIMRA-UHFFFAOYSA-N
Formula
C9H16O
SMILES
CC(C)C1CCC(=O)CC1
Molecular Weight1
140.22
CAS
5432-85-9
Other Names
  • 4-isopropylcyclohexan-1-one
  • Cyclohexanone, 4-(1-methylethyl)-
  • Cyclohexanone, 4-isopropyl-
Sources

Physical Properties

Property Value Unit Source
Δf -75.68 kJ/mol Joback Calculated Property
Δfgas -317.75 kJ/mol Joback Calculated Property
Δfus 6.89 kJ/mol Joback Calculated Property
Δvap 39.92 kJ/mol Joback Calculated Property
logPoct/wat 2.40 Crippen Calculated Property
Pc 2973.04 kPa Joback Calculated Property
Tboil 412.70 K NIST
Tboil 368.00 ± 1.00 K NIST
Tc 714.29 K Joback Calculated Property
Tfus 251.79 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 291.68 J/mol×K 492.25 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cyclohexanone, 4-(1,1-dimethylethyl)-. Cyclohexanone, 3-(1-methylethyl). Cyclohexanone, 4-ethyl-. 4-Propylcyclohexanone. 2-Decalone,c&t. cis-octahydronaphthalene-2(1H)-one. 2(1H)-Naphthalenone, octahydro-, trans-. Cyclohexanone, 4-(1,1-dimethylpropyl). 3,4-Dimethyl cyclohexanone. Cycloheptanone, 4-methyl-, (r)-. Tetrahydrocarvone. Cyclohexanone, 2-methyl-5-(1-methylethyl)-. 3-BUTYL-CYCLOHEXANONE. Cyclohexanone, 3-ethyl-. Bicyclo(3.3.1)nonan-3-one.

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