Chemical Properties of 1,3,5-Trioxepane (CAS 5981-06-6)

1,3,5-Trioxepane

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InChI
InChI=1S/C4H8O3/c1-2-6-4-7-3-5-1/h1-4H2
InChI Key
ULAGGPJVDRGWTI-UHFFFAOYSA-N
Formula
C4H8O3
SMILES
C1COCOCO1
Molecular Weight1
104.10
CAS
5981-06-6
Other Names
  • 1,3,5-Trioxacycloheptane
Sources

Physical Properties

Property Value Unit Source
Δf -255.50 kJ/mol Joback Calculated Property
Δfgas -453.39 kJ/mol Joback Calculated Property
Δfus 18.72 kJ/mol Joback Calculated Property
Δvap 38.94 kJ/mol Joback Calculated Property
IE 9.62 eV NIST
logPoct/wat -0.04 Crippen Calculated Property
Pc 5359.18 kPa Joback Calculated Property
Tboil 400.26 K Joback Calculated Property
Tc 619.45 K Joback Calculated Property
Tfus 222.65 K Joback Calculated Property
Vc 0.25 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 142.58 J/mol×K 400.26 Joback Calculated Property
η 0.00 Pa×s 400.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 3
-CH2- (ring) 4

Similar Compounds

3,5,7-Trioxanonane. 1,3,6,9,11,14-Hexaoxacyclohexadecane. l,3,6-Trioxocane. 1,3,6,9,12,14,17,20-Octaoxacyclodocosane. 1,3,6,9,12,15,17,20,23,26-Decaoxacyclooctacosane. 1,3,6,9,12,15,17,20,23,26,29,32-Dodecaoxacyclo-tetratricontane. 1,3,6,9,12,14,17,20,22,25,28,31-Dodecaoxacyclotritricontane. 1,3-Dioxolane. 2,4,7-Trioxepane, 6-methyl. 2-Methoxy-1,3-dioxolane. Diethoxymethane. 1,3-Dioxolane, 2-methyl-. 1,3-Dioxan-5-ol. Ethanol, 2-methoxy-, carbonate (2:1). Ethane, 1,1,2-trimethoxy-.

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