Chemical Properties of 1,3-Dioxane, 4-methyl- (CAS 1120-97-4)

1,3-Dioxane, 4-methyl-

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InChI
InChI=1S/C5H10O2/c1-5-2-3-6-4-7-5/h5H,2-4H2,1H3
InChI Key
INCCMBMMWVKEGJ-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
CC1CCOCO1
Molecular Weight1
102.13
CAS
1120-97-4
Other Names
  • 4-Methyl-1,3-dioxane
  • 4-Methyl-m-dioxane
  • m-Dioxane, 4-methyl-
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2980.60 ± 2.90 kJ/mol NIST
Δcliquid -2979.10 ± 0.30 kJ/mol NIST
Δcliquid -2970.00 ± 0.80 kJ/mol NIST
Δf -156.57 kJ/mol Joback Calculated Property
Δfgas -376.90 kJ/mol NIST
Δfgas -378.40 ± 1.90 kJ/mol NIST
Δfliquid -416.10 ± 2.90 kJ/mol NIST
Δfliquid -417.60 ± 0.63 kJ/mol NIST
Δfus 16.50 kJ/mol Joback Calculated Property
Δvap 39.00 ± 1.00 kJ/mol NIST
Δvap 39.20 kJ/mol NIST
IE 10.04 eV NIST
logPoct/wat 0.77 Crippen Calculated Property
Pc 4379.97 kPa Joback Calculated Property
Tboil 387.20 K NIST
Tboil 385.50 ± 2.50 K NIST
Tboil 387.15 ± 1.50 K NIST
Tc 594.41 K Joback Calculated Property
Tfus 206.63 K Joback Calculated Property
Vc 0.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 154.92 J/mol×K 387.25 Joback Calculated Property
η 0.00 Pa×s 387.25 Joback Calculated Property
ΔvapH 43.70 ± 0.30 kJ/mol 293.0 NIST

Molecular Descriptors

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

Similar Compounds

trans-4,6-Dimethyl-1,3-dioxane. 1,3-Dioxane, 4,6-dimethyl-, cis-. 1,3-Dioxane, 4,4-dimethyl-. 1,3-Dioxane, 2,4-dimethyl-. m-Dioxane, 2,4-dimethyl-, trans-. cis-2,4-Dimethyl-1,3-dioxane. trans 4,5-Dimethyl-1,3-dioxane. cis 4,5-Dimethyl-1,3-dioxane. 1,3-Dioxane, 4,5-dimethyl-. 3-Methyl-4,6-dioxanonane. 2-Butyl ethoxymethyl ether. Butane, 2,2'-[methylenebis(oxy)]bis-. 1,3-Dioxane,2,4,6-trimethyl-,(2«alpha»,4«alpha»,6«beta»)-. 1,3-Dioxane, 2,4,6-trimethyl-, (2«alpha»,4«alpha»,6«alpha»)-. 1,3-Dioxane, 4-(1-methylethyl).

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