Chemical Properties of c-C6H11COCH3 (CAS 823-76-7)

c-C6H11COCH3

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InChI
InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChI Key
RIFKADJTWUGDOV-UHFFFAOYSA-N
Formula
C8H14O
SMILES
CC(=O)C1CCCCC1
Molecular Weight1
126.20
CAS
823-76-7
Other Names
  • 1-Acetylcyclohexane
  • 1-Cyclohexylethanone
  • 1-cyclohexylethan-1-one
  • Acetophenone, hexahydro-
  • Acetylcyclohexane
  • Cyclohexane, acetyl-
  • Cyclohexyl methyl ketone
  • Cyclohexylethanone
  • Ketone, cyclohexyl methyl
  • Methyl cyclohexyl ketone
  • NSC 16249
  • c-C6H11COCH3
Sources

Physical Properties

Property Value Unit Source
PAff 841.40 kJ/mol NIST
BasG 809.50 kJ/mol NIST
Δf -87.99 kJ/mol Joback Calculated Property
Δfgas -266.71 kJ/mol Joback Calculated Property
Δfus 9.91 kJ/mol Joback Calculated Property
Δvap 40.58 kJ/mol Joback Calculated Property
logPoct/wat 2.16 Crippen Calculated Property
Pc 3388.08 kPa Joback Calculated Property
Tboil 453.50 ± 0.50 K NIST
Tc 669.17 K Joback Calculated Property
Tfus 237.23 K Joback Calculated Property
Vc 0.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 238.03 J/mol×K 455.86 Joback Calculated Property
η 0.00 Pa×s 455.86 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
>CH- (ring) 1
-CH2- (ring) 5
-CH3 1

Similar Compounds

1-Butanone, 1-cyclohexyl-. 1-Propanone, 1-cyclohexyl-. Ethanone, 1-cyclododecyl-. Cyclohexanone, 2-butyl-. Cyclohexanone, 2-propyl-. Cyclohexanone, 2-ethyl-. Methanone, dicyclohexyl-. Bicyclo[3.3.1]nonan-2-one. Bicyclo[2.2.2]octanone. Bicyclo[3.3.1]nonan-9-one. 3-methyl-2-nonanone. Cyclohexanone, 5-methyl-2-propyl, cis. 2-Adamantanone. Cyclohexanone, 5-methyl-2-propyl, trans. 2-N-heptylcyclopentanone.

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