Chemical Properties of 1,3-Dioxane, 2,2-dimethyl- (CAS 695-30-7)

1,3-Dioxane, 2,2-dimethyl-

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InChI
InChI=1S/C6H12O2/c1-6(2)7-4-3-5-8-6/h3-5H2,1-2H3
InChI Key
RPLSBADGISFNSI-UHFFFAOYSA-N
Formula
C6H12O2
SMILES
CC1(C)OCCCO1
Molecular Weight1
116.16
CAS
695-30-7
Other Names
  • 2,2-Dimethyl-1,3-dioxane
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3607.20 ± 2.00 kJ/mol NIST
Δf -153.64 kJ/mol Joback Calculated Property
Δfgas -361.61 kJ/mol Joback Calculated Property
Δfliquid -468.90 ± 2.00 kJ/mol NIST
Δfus 12.79 kJ/mol Joback Calculated Property
Δvap 37.25 kJ/mol Joback Calculated Property
IE 9.84 eV NIST
logPoct/wat 1.16 Crippen Calculated Property
Pc 4098.62 kPa Joback Calculated Property
Tboil 397.65 ± 1.50 K NIST
Tc 625.18 K Joback Calculated Property
Tfus 241.80 K Joback Calculated Property
Vc 0.34 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 194.00 J/mol×K 410.37 Joback Calculated Property
ΔfusH 12.10 kJ/mol 229.6 NIST

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 1
-O- (ring) 2
-CH3 2
-CH2- (ring) 3

Similar Compounds

1,3-Dioxane, 2-methyl-. 1,3-Dioxane, 2,2-dimethyl-5-hydroxy-. Propane, 2,2-diethoxy-. 2,2,4-Trimethyldioxolane. 2-ethyl-1,3-dioxane. 2-Hydroxymethyl-1,3-dioxane. 1,3-Dioxane, 2,2,4,6-tetramethyl-, trans-. cis-2,2,4,6-Tetramethyl-1,3-dioxane. cis-5-Hydroxy-2-methyl-1,3-dioxane. trans-5-Hydroxy-2-methyl-1,3-dioxane. 1,3-Dioxolane, 2,4-dimethyl-. 1,3-Dioxolane-4-methanol, 2,2-dimethyl-. (R)-(-)-2,2-Dimethyl-1,3-dioxolane-4-methanol. 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (S)-. 1,3-Dioxolane, 2,2-dimethyl-.

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