Chemical Properties of cis-2,4,6-Trimethyl-1,3,5-trioxane (CAS 1499-02-1)

cis-2,4,6-Trimethyl-1,3,5-trioxane

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InChI
InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3/t4-,5+,6-
InChI Key
SQYNKIJPMDEDEG-FPFOFBBKSA-N
Formula
C6H12O3
SMILES
CC1OC(C)OC(C)O1
Molecular Weight1
132.16
CAS
1499-02-1
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3394.20 ± 2.60 kJ/mol NIST
Δf -249.69 kJ/mol Joback Calculated Property
Δfgas -636.20 ± 3.00 kJ/mol NIST
Δfliquid -681.80 ± 2.60 kJ/mol NIST
Δfus 29.21 kJ/mol Joback Calculated Property
Δvap 45.60 kJ/mol NIST
logPoct/wat 1.09 Crippen Calculated Property
Pc 3534.66 kPa Joback Calculated Property
Tboil 427.74 K Joback Calculated Property
Tc 632.02 K Joback Calculated Property
Tfus 235.99 K Joback Calculated Property
Vc 0.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 223.56 J/mol×K 427.74 Joback Calculated Property
η 0.00 Pa×s 427.74 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 3
-CH3 3
>CH- (ring) 3

Similar Compounds

Paraldehyde. Acetaldehyde, tetramer. s-Trioxane, 2,4,6-triethyl-. 2,4,6-Triethyl-[1,3,5]trioxane, stereoisomer 1. Ethane, 1,1-diethoxy-. Ethane, 1-ethoxy-1-methoxy-. P-n-butyraldehyde. 1,3,5-Trioxane, 2,4,6-tris(1-methylethyl)-. 2,4,6-Tri-isopropyl-[1,3,5]trioxane, stereoisomer 1. Ethane, 2-bromo-1,1-diethoxy-. Propane, 1-(1-ethoxyethoxy)-. Propane, 1,1'-[ethylidenebis(oxy)]bis-. Propane, 1,1-diethoxy-. Ethane, 2-chloro-1,1-diethoxy-. Propargylaldehyde diethyl acetal.

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