Chemical Properties of 1,3,3,4,6,6-Hexamethyl-2,5,7-trioxabicyclo[2.2.1]heptane (CAS 7045-89-8)

1,3,3,4,6,6-Hexamethyl-2,5,7-trioxabicyclo[2.2.1]heptane

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InChI
InChI=1S/C10H18O3/c1-7(2)9(5)12-8(3,4)10(6,11-7)13-9/h1-6H3
InChI Key
VKNKFXJFQVTQKD-UHFFFAOYSA-N
Formula
C10H18O3
SMILES
CC1(C)OC2(C)OC1(C)OC2(C)C
Molecular Weight1
186.25
CAS
7045-89-8
Sources

Physical Properties

Property Value Unit Source
Δf -153.02 kJ/mol Joback Calculated Property
Δfgas -486.01 kJ/mol Joback Calculated Property
Δfus 16.71 kJ/mol Joback Calculated Property
Δvap 46.16 kJ/mol Joback Calculated Property
logPoct/wat 2.05 Crippen Calculated Property
Pc 3065.95 kPa Joback Calculated Property
Tboil 518.42 K Joback Calculated Property
Tc 747.96 K Joback Calculated Property
Tfus 401.65 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 387.08 J/mol×K 518.42 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C< (ring) 4
-O- (ring) 3
-CH3 6

Similar Compounds

«alpha»-D-Xylofuranose, 1,2:3,5-bis-O-(1-methylethylidene)-. 2-(1-Hydroxy-1-methylethyl-2-methyl-1,3-dioxane. 1,2-O-isopropylidene-d-glucofuranose. Dihydroartemisinin, 3-desoxy-. 1,2:4,6-Di-o-isopropylidene-l-sorbopyranose. D-fructopyranose, 2,3:5,6-di-o-isopropylidene-,. «alpha»-D-Galactopyranose, 1,2:3,4-bis-O-(1-methylethylidene)-. Melezitose, monohydrate. Promoxolane. «alpha»-D-Glucopyranoside, 1,3,4,6-tetra-O-methyl-«beta»-D-fructofuranosyl 2,3,4-tri-O-methyl-6-O-(2,3,4,6-tetra-O-methyl-«alpha»-D-galactopyranosyl)-. Stachyose, permethyl. «alpha»-D-Glucopyranoside, 1,3,4,6-tetra-O-methyl-«beta»-D-fructofuranosyl 2,3,4,6-tetra-O-methyl-. Sucrose. Sucrose dipalmitate. Sucrose, octaacetate.

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