Chemical Properties of 1,3,5-Trioxane (CAS 110-88-3)

1,3,5-Trioxane

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InChI
InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2
InChI Key
BGJSXRVXTHVRSN-UHFFFAOYSA-N
Formula
C3H6O3
SMILES
C1OCOCO1
Molecular Weight1
90.08
CAS
110-88-3
Other Names
  • 1,3,5-Trioxacyclohexane
  • 1,3,5-Trioxan
  • Aldeform
  • Formagene
  • Formaldehyde, trimer
  • Marvosan
  • Metaformaldehyde
  • NSC 26347
  • Paraformaldehyde
  • Triformol
  • Triossimetilene
  • Trioxan
  • Trioxane
  • Trioxin
  • Trioxymethyleen
  • Trioxymethylen
  • Trioxymethylene
  • s-Trioxan
  • s-Trioxane
  • s-Trixane
  • sym-Trioxane
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-1518.00; -1492.00] kJ/mol Show Hide
Δcsolid -1515.30 kJ/mol NIST
Δcsolid -1515.70 ± 0.30 kJ/mol NIST
Δcsolid -1492.00 ± 1.00 kJ/mol NIST
Δcsolid -1518.00 kJ/mol NIST
Δf -251.82 kJ/mol Joback Calculated Property
Δfgas -465.76 ± 0.50 kJ/mol NIST
Δfgas -489.50 kJ/mol NIST
Δfgas -464.00 kJ/mol NIST
Δfsolid -522.30 ± 0.40 kJ/mol NIST
Δfsolid -546.00 ± 11.00 kJ/mol NIST
Δfsolid -520.49 kJ/mol NIST
Δfus 18.23 kJ/mol Joback Calculated Property
Δsub [48.50; 56.60] kJ/mol Show Hide
Δsub 55.60 kJ/mol NIST
Δsub 56.50 kJ/mol NIST
Δsub 56.60 ± 0.20 kJ/mol NIST
Δsub 56.50 kJ/mol NIST
Δsub 56.20 ± 0.20 kJ/mol NIST
Δsub Outlier 48.50 ± 2.50 kJ/mol NIST
Δvap 36.54 kJ/mol Joback Calculated Property
IE 10.30 eV NIST
IE 10.59 ± 0.05 eV NIST
IE 10.80 eV NIST
logPoct/wat -0.08 Crippen Calculated Property
Pc 5962.94 kPa Joback Calculated Property
gas 284.90 ± 3.40 J/mol×K NIST
solid,1 bar 142.89 J/mol×K NIST
solid,1 bar 133.00 J/mol×K NIST
Tboil 373.11 K Joback Calculated Property
Tc 585.00 K Joback Calculated Property
Tfus 335.65 ± 1.50 K NIST
Ttriple 333.44 ± 0.02 K NIST
Vc 0.20 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 109.71 J/mol×K 373.11 Joback Calculated Property
Cp,solid 113.08 J/mol×K 298.15 NIST
Cp,solid 111.40 J/mol×K 298.15 NIST
η 0.00 Pa×s 373.11 Joback Calculated Property
ΔfusH [15.10; 15.11] kJ/mol [333.40; 333.44] Show Hide
ΔfusH 15.10 kJ/mol 333.4 NIST
ΔfusH 15.10 kJ/mol 333.4 NIST
ΔfusH 15.11 kJ/mol 333.4 NIST
ΔfusH 15.11 kJ/mol 333.44 NIST
ΔsubH 57.90 kJ/mol 221.5 NIST
ΔvapH 40.00 kJ/mol 357.5 NIST

Molecular Descriptors

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

Similar Compounds

1,3,5,7-Tetroxane. Methane, dimethoxy-. 3,5,7-Trioxanonane. Methane, trimethoxy-. 1,1-Dimethoxyethane. o,o'-Dimethyl monothiocarbonate. Diethoxymethane. Carbonic acid, dimethyl ester. Ethane, 1,1-dimethoxy-. 1,2,4-Trioxolane. 1,3-Dioxolane. 1,3,5-Trioxepane. Tetramethoxymethane. 1-Propene, 1-(methoxymethoxy)-, (Z)-. Methane, methoxy-isopropoxy.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.