Chemical Properties of Acetal of cyclododecanone and 2,2-dimethyl-1,3-propanediol

Acetal of cyclododecanone and 2,2-dimethyl-1,3-propanediol

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InChI
InChI=1S/C16H32O2/c1-3-17-16(18-4-2)14-12-10-8-6-5-7-9-11-13-15-16/h3-15H2,1-2H3
InChI Key
XMQLLEROFXPBDO-UHFFFAOYSA-N
Formula
C16H32O2
SMILES
CCOC1(OCC)CCCCCCCCCCC1
Molecular Weight1
256.42
Sources

Physical Properties

Property Value Unit Source
Δf -179.80 kJ/mol Joback Calculated Property
Δfgas -605.41 kJ/mol Joback Calculated Property
Δfus 12.51 kJ/mol Joback Calculated Property
Δvap 56.34 kJ/mol Joback Calculated Property
logPoct/wat 5.06 Crippen Calculated Property
Pc 1753.60 kPa Joback Calculated Property
Tboil 655.73 K Joback Calculated Property
Tc 880.64 K Joback Calculated Property
Tfus 324.70 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 686.14 J/mol×K 655.73 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 1
-O- (nonring) 2
-CH2- 2
-CH3 2
-CH2- (ring) 11

Similar Compounds

1,7-Dioxaspiro[5.5]undecane. 1,4-Dioxaspiro[4.5]decane. 4-t-Butylcyclohexanone diethyl ketal. Chalcogran, isomer # 1. Chalcogran, isomer # 2. Cyclododecanone 2,2-dimethylpropanediol-1,3 acetal. 1,3-Dioxolane, 2-methyl-2-pentyl-. 1,6-dioxaspiro [4,5] decane, 7-methyl. Conophthorin. Cyclohexane, 1,1-dimethoxy-. 1,4-CYCLOHEXANEDIONE BIS(ETHYLENE KETAL). Cyclohexanone-1,3-butanediol ketal. 1,5-Dioxaspiro[5.5]undecane, 3,3-dimethyl-. Cyclopentanone ethylene ketal. 1,3-Dioxane, 2-ethyl-2methyl-4-pentyl, 2R,4R.

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