Oxetane, 3,3-dimethyl-

• Formula: C₅H₁₀O
• Molecular weight: 86.1323
• IUPAC Standard InChI: InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: RVGLUKRYMXEQAH-UHFFFAOYSA-N Copy
• CAS Registry Number: 6921-35-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Propane, 1,3-epoxy-2,2-dimethyl-; 3,3-Dimethyloxetane; 3,3-Dimethyltrimethylene oxide; β,β-Dimethyltrimethylene oxide; 1,3-Epoxy-2,2-dimethylpropane
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
• Data at other public NIST sites:
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  • Gas Phase Kinetics Database
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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ringner, Sunner, et al., 1971
Ringner, B.; Sunner, S.; Watanabe, H., The enthalpies of combustion and formation of some 3,3-disubstituted oxetanes, Acta Chem. Scand., 1971, 25, 141-146. [all data]

Skuratov and Kozina, 1958
Skuratov, S.M.; Kozina, M.P., The heat of combustion of tetrahydropyzane, Dokl. Akad. Nauk SSSR, 1958, 122, 109-110. [all data]

Casteignau and Halary, 1972
Casteignau, G.; Halary, J.-L., No. 72 - Identification et dosage par chromatographie en phase gazeuse d'oxetannes disubstitués en 3 et de quelques autres éthers-oxydes, Bull. Soc. Chim. Fr., 1972, 1, 420-428. [all data]

Farkas, Héberger, et al., 2004
Farkas, O.; Héberger, K.; Zenkevich, I.G., Quantitative structure-retention relationships. XIV. Prediction of gas chromatographic retention indices for saturated O-, N-, and S-heterocyclic compounds, Chemom. Intell. Lab. Syst., 2004, 72, 2, 173-184, https://doi.org/10.1016/j.chemolab.2004.01.012 . [all data]

Notes

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• Symbols used in this document:
  

  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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