Chemical Properties of [1,1'-Bicyclohexyl]-2-one (CAS 90-42-6)

[1,1'-Bicyclohexyl]-2-one

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InChI
InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
InChI Key
UOBQDYFTAJKQAL-UHFFFAOYSA-N
Formula
C12H20O
SMILES
O=C1CCCCC1C1CCCCC1
Molecular Weight1
180.29
CAS
90-42-6
Other Names
  • 2-Cyclohexylcyclohexanone
  • Cyclohexanone, 2-cyclohexyl-
  • Lavamenthe
Sources

Physical Properties

Property Value Unit Source
Δcsolid -7189.49 ± 0.98 kJ/mol NIST
Δf -23.53 kJ/mol Joback Calculated Property
Δfgas -324.00 ± 1.50 kJ/mol NIST
Δfsolid -391.00 ± 1.40 kJ/mol NIST
Δfus 10.02 kJ/mol Joback Calculated Property
Δvap 47.41 kJ/mol Joback Calculated Property
logPoct/wat 3.33 Crippen Calculated Property
Pc 2698.60 kPa Joback Calculated Property
Tboil 580.88 K Joback Calculated Property
Tc 787.00 ± 35.00 K NIST
Tfus 307.98 K Joback Calculated Property
Ttriple 277.00 ± 1.00 K NIST
Vc 0.58 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 428.54 J/mol×K 580.88 Joback Calculated Property
ΔfusH 18.00 kJ/mol 277.0 NIST

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 1
>CH- (ring) 2
-CH2- (ring) 9

Similar Compounds

2-hexylcyclohexan-1-one. Cyclohexanone, sec-butyl, # 1. Cyclohexanone, 2-(1-methylethyl)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-. Bisabol-1-one. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2S-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, (2R-cis)-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans-. Cyclohexanone, 5-methyl-2-(1-methylethyl)-, cis-. Cyclohexanone, 2-ethyl-3-methyl-, trans-. 1-Decalone (cis-trans). Cyclohexanebutanal, 2-methyl-3-oxo-, cis-. 1(2H)-Naphthalenone, octahydro-, trans-. Cyclohexanone, 3-ethyl-2-methyl-, trans-. cis-2-Methyl-3-ethylcyclohexanone.

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