Chemical Properties of 4-t-Butylcyclohexanone diethyl ketal (CAS 1900-58-9)

4-t-Butylcyclohexanone diethyl ketal

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InChI
InChI=1S/C14H28O2/c1-6-15-14(16-7-2)10-8-12(9-11-14)13(3,4)5/h12H,6-11H2,1-5H3
InChI Key
QTSXNUWFLGKEKB-UHFFFAOYSA-N
Formula
C14H28O2
SMILES
CCOC1(OCC)CCC(C(C)(C)C)CC1
Molecular Weight1
228.37
CAS
1900-58-9
Other Names
  • 4-tert-Butylcyclohexanone diethyl acetal
Sources

Physical Properties

Property Value Unit Source
Δf -128.91 kJ/mol Joback Calculated Property
Δfgas -556.26 kJ/mol Joback Calculated Property
Δfus 13.59 kJ/mol Joback Calculated Property
Δvap 49.25 kJ/mol Joback Calculated Property
logPoct/wat 3.99 Crippen Calculated Property
Pc 1795.46 kPa Joback Calculated Property
Tboil 576.45 K Joback Calculated Property
Tc 779.20 K Joback Calculated Property
Tfus 321.46 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 561.08 J/mol×K 576.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH2- 2
>C< 1
>C< (ring) 1
-CH3 5
>CH- (ring) 1
-CH2- (ring) 4

Similar Compounds

Acetal of cyclododecanone and 2,2-dimethyl-1,3-propanediol. 1,7-Dioxaspiro[5.5]undecane. Cyclododecanone 2,2-dimethylpropanediol-1,3 acetal. 1,4-Dioxaspiro[4.5]decane. 1,5-Dioxaspiro[5.5]undecane, 3,3-dimethyl-. Chalcogran, isomer # 1. Chalcogran, isomer # 2. 1,4-CYCLOHEXANEDIONE BIS(ETHYLENE KETAL). Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate, cis-. 4-tert-Butylcyclohexyl acetate. 4-tert butylcyclohexyl acetate 1. 4-tert-butylcyclohexyl acetate 2. 4-tert-Butylcyclohexyl acetate. Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate, trans-. Cyclohexane,1-(1,1-dimethylethyl)-4-methoxy-cis-.

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