Chemical Properties of Cyclohexanone, 3,3,5-trimethyl- (CAS 873-94-9)

Cyclohexanone, 3,3,5-trimethyl-

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InChI
InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
InChI Key
POSWICCRDBKBMH-UHFFFAOYSA-N
Formula
C9H16O
SMILES
CC1CC(=O)CC(C)(C)C1
Molecular Weight1
140.22
CAS
873-94-9
Other Names
  • (dl) 3,5,5-trimethylcyclohexanone
  • 3,3,5-Trimethylcyclohexan-1-one
  • 3,3,5-Trimethylcyclohexanone
  • 3,3,5-trimethyi-cyclohexanone
  • Dihydroisophorone
Sources

Physical Properties

Property Value Unit Source
Δf -86.44 kJ/mol Joback Calculated Property
Δfgas -317.57 kJ/mol Joback Calculated Property
Δfus 5.18 kJ/mol Joback Calculated Property
Δvap 38.84 kJ/mol Joback Calculated Property
logPoct/wat 2.40 Crippen Calculated Property
Pc 2986.06 kPa Joback Calculated Property
Tboil 488.26 K Joback Calculated Property
Tc 714.57 K Joback Calculated Property
Tfus 286.45 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 292.44 J/mol×K 488.26 Joback Calculated Property
ΔvapH 39.30 kJ/mol 443.0 NIST

Molecular Descriptors

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

Similar Compounds

Cyclohexanone, 3,3,5,5-tetramethyl-. 3,3-dimethylcyclohexanone. 3,3,4,5-tetramethylcyclohexan-1-one. trans-3,5-Dimethylcyclohexanone. Cyclohexanone, 3,5-dimethyl-, cis-. Cyclohexanone, 3,5-dimethyl-. 5,5-Dimethyl-1,3-cyclohexadione. 6,6,10-Trimethyldecal-2-one. Cyclohexanone, 3-(3,3-dimethylbutyl)-. 2(1H)-Naphthalenone, octahydro-8a-methyl-, trans-. Bicyclo(3.3.1)nonan-3-one. 1,4-Cyclohexanedione, 2,2,6-trimethyl-. 4-Nonanone, 2,6,8-trimethyl-. SPIRO[4.5]DECAN-2-ONE. Cyclohexanone, 3-methyl-, (R)-.

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