Chemical Properties of 1,3-Dioxepane (CAS 505-65-7)

1,3-Dioxepane

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InChI
InChI=1S/C5H10O2/c1-2-4-7-5-6-3-1/h1-5H2
InChI Key
CZLMRJZAHXYRIX-UHFFFAOYSA-N
Formula
C5H10O2
SMILES
C1CCOCOC1
Molecular Weight1
102.13
CAS
505-65-7
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3009.00 kJ/mol NIST
Δf -160.96 kJ/mol Joback Calculated Property
Δfgas -342.03 kJ/mol Joback Calculated Property
Δfus 13.33 kJ/mol Joback Calculated Property
Δvap 36.65 kJ/mol Joback Calculated Property
IE 9.45 eV NIST
logPoct/wat 0.771 Crippen Calculated Property
Pc 4736.62 kPa Joback Calculated Property
gas 338.60 ± 4.80 J/mol×K NIST
Tboil 396.19 K Joback Calculated Property
Tc 612.99 K Joback Calculated Property
Tfus 207.35 K Joback Calculated Property
Vc 0.283 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 152.40 J/mol×K 396.19 Joback Calculated Property
Cp,liquid 167.00 J/mol×K 298.0 NIST
η 0.0003791 Pa×s 396.19 Joback Calculated Property
ΔvapH 41.00 kJ/mol 293.0 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
-CH2- (ring) 5

Similar Compounds

Butane, 1,1'-[methylenebis(oxy)]bis-. Methane, dipropoxy-. Ethoxypropoxymethane. Hexane, 1,1'-[methylenebis(oxy)]bis-. Butane, 1-(1-ethoxyethoxy)-. 6-Methyl-5,7-dioxaundecane. Propane, 1,1'-[methylenebis(oxy)]bis[2-methyl-. 1,3,7,9 Tetraoxacyclododecane. 1-Butanol, 4-methoxy-. 1,3-Dioxane. 2-Butyl ethoxymethyl ether. Butane, 2,2'-[methylenebis(oxy)]bis-. 3-Methyl-4,6-dioxanonane. CH3O(CH2)4OCH3. 1,3-Dioxane, 4-methyl-.

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