Chemical Properties of trans 4,5-Dimethyl-1,3-dioxane (CAS 1121-20-6)

trans 4,5-Dimethyl-1,3-dioxane

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InChI
InChI=1S/C6H12O2/c1-5-3-7-4-8-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChI Key
YMXZGCMNTIZHDC-RITPCOANSA-N
Formula
C6H12O2
SMILES
CC1COCOC1C
Molecular Weight1
116.16
CAS
1121-20-6
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3622.80 ± 0.59 kJ/mol NIST
Δf -155.86 kJ/mol Joback Calculated Property
Δfgas -411.00 ± 3.00 kJ/mol NIST
Δfliquid -453.00 ± 1.00 kJ/mol NIST
Δfus 20.16 kJ/mol Joback Calculated Property
Δvap 43.00 ± 1.00 kJ/mol NIST
Δvap 42.00 kJ/mol NIST
logPoct/wat 1.015 Crippen Calculated Property
Pc 3718.02 kPa Joback Calculated Property
Tboil 405.46 K Joback Calculated Property
Tc 610.20 K Joback Calculated Property
Tfus 213.66 K Joback Calculated Property
Vc 0.345 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 193.64 J/mol×K 405.46 Joback Calculated Property
η 0.0003663 Pa×s 405.46 Joback Calculated Property
ΔvapH 39.10 kJ/mol 380.5 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
-CH3 2
>CH- (ring) 2
-CH2- (ring) 2

Similar Compounds

1,3-Dioxane, 4,5-dimethyl-. cis 4,5-Dimethyl-1,3-dioxane. 1,3-Dioxane, 4-(1-methylethyl). 1,3-Dioxane, 4-methyl-. trans-4,6-Dimethyl-1,3-dioxane. 1,3-Dioxane, 4,6-dimethyl-, cis-. 1,3-Dioxane, 4,4-dimethyl-. cis-2,4-Dimethyl-1,3-dioxane. m-Dioxane, 2,4-dimethyl-, trans-. 1,3-Dioxane, 2,4-dimethyl-. trans-2-Methyl-5-ethyl-1,3-dioxane. cis-2-Methyl-5-ethyl-1,3-dioxane. 1,3-Dioxane, 4-(2-methylpropyl). Butane, 2,2'-[methylenebis(oxy)]bis-. 3-Methyl-4,6-dioxanonane.

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