Chemical Properties of Oxetane (CAS 503-30-0)

Oxetane

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InChI
InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2
InChI Key
AHHWIHXENZJRFG-UHFFFAOYSA-N
Formula
C3H6O
SMILES
C1COC1
Molecular Weight1
58.08
CAS
503-30-0
Other Names
  • 1,2-epoxypropane
  • 1,3-Epoxypropane
  • 1,3-Propylene oxide
  • 1,3-Trimethylene oxide
  • Cyclooxabutane
  • NSC 30086
  • Oxacyclobutane
  • Oxetan
  • Oxetane
  • Propane, 1,3-epoxy-
  • Trimethylenoxid
  • «alpha»,«gamma»-Propane oxide
Sources

Physical Properties

Property Value Unit Source
PAff 801.30 kJ/mol NIST
BasG 773.90 kJ/mol NIST
Δcgas -1957.50 ± 0.59 kJ/mol NIST
Δf -55.38 kJ/mol Joback Calculated Property
Δfgas -80.54 kJ/mol NIST
Δfgas -80.54 ± 0.63 kJ/mol NIST
Δfus 6.47 kJ/mol Joback Calculated Property
Δvap 30.21 kJ/mol NIST
Δvap 29.80 kJ/mol NIST
IE [9.60; 9.68] eV Show Hide
IE 9.65 ± 0.01 eV NIST
IE 9.65 eV NIST
IE 9.64 ± 0.05 eV NIST
IE 9.60 eV NIST
IE 9.63 eV NIST
IE 9.67 ± 0.01 eV NIST
IE 9.68 eV NIST
logPoct/wat 0.407 Crippen Calculated Property
Pc 5678.82 kPa Joback Calculated Property
Tboil [320.70; 323.20] K Show Hide
Tboil 323.20 K NIST
Tboil 320.70 K NIST
Tboil 320.80 K NIST
Tboil 321.65 ± 0.50 K NIST
Tboil 320.90 ± 1.00 K NIST
Tc 507.90 K NIST
Tfus 176.15 ± 1.00 K NIST
Vc 0.174 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [61.20; 108.65] J/mol×K [298.15; 523.15] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 61.20 ± 0.12 J/mol×K 298.15 NIST
Cp,gas 66.66 ± 0.13 J/mol×K 323.15 NIST
Cp,gas 72.18 ± 0.14 J/mol×K 348.15 NIST
Cp,gas 77.84 ± 0.15 J/mol×K 373.15 NIST
Cp,gas 83.34 ± 0.17 J/mol×K 398.15 NIST
Cp,gas 88.72 ± 0.18 J/mol×K 423.15 NIST
Cp,gas 94.05 ± 0.19 J/mol×K 448.15 NIST
Cp,gas 99.08 ± 0.20 J/mol×K 473.15 NIST
Cp,gas 103.93 ± 0.21 J/mol×K 498.15 NIST
Cp,gas 108.65 ± 0.22 J/mol×K 523.15 NIST
Cp,liquid 99.60 J/mol×K 298.0 NIST
η 0.0003271 Pa×s 310.67 Joback Calculated Property
ΔfusH 6.27 kJ/mol 177.5 NIST
ΔvapH 28.67 kJ/mol 320.8 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH2- (ring) 3

Similar Compounds

Methyl propyl ether. Oxetane, 3-methyl. Trimethylene glycol monomethyl ether. Propylene oxide. Oxirane, methyl-, (S)-. Propane, 1-ethoxy-. CH2CH2CH2OH. Ethane, methoxy-. 1-Propanol. Ethyl, 1-methoxy-. Propane, 2-methoxy-. Propane, 1,3-dimethoxy-. Butane, 1-methoxy-. Di-n-propyl ether. Isobutyl methyl ether.

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