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Azetidine

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Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil334.7KN/AAldrich Chemical Company Inc., 1990BS
Tboil336.KN/ABuckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
32.6288.AStephenson and Malanowski, 1987Based on data from 273. - 303. K.; AC

Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman

View reactions leading to C3H7N+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)943.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity908.6kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.63 ± 0.02PITarasenko, Tishenkov, et al., 1986LBLHLM
8.3PEAue and Bowers, 1979LLK
8.9EIKiser and Gallegos, 1962RDSH
9.1 ± 0.15EIGallegos and Kiser, 1962RDSH
9.04 ± 0.02PEYoshikawa, Hashimoto, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH2N+9.98 ± 0.02C2H5PITarasenko, Tishenkov, et al., 1986LBLHLM
CH2N+13.1 ± 0.2?EIGallegos and Kiser, 1962RDSH
CH3+14.4 ± 1.0?EIGallegos and Kiser, 1962RDSH
CH3N+10.46 ± 0.05C2H4EIHolmes, Lossing, et al., 1992LL
CH3N+10.32 ± 0.08C2H4PITarasenko, Tishenkov, et al., 1986LBLHLM
CH3N+10.46 ± 0.05C2H4EIBurgers, Holmes, et al., 1984LBLHLM
CH4N+12.3 ± 0.2?EIGallegos and Kiser, 1962RDSH
C2H2+16.6 ± 0.5?EIGallegos and Kiser, 1962RDSH
C2H4N+11.9 ± 0.2CH3EIGallegos and Kiser, 1962RDSH
C3H6N+11.4 ± 0.2HEIGallegos and Kiser, 1962RDSH

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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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin R.W. KISER KANSAS STATE UNIV., MANHATTAN, KANSAS, USA
NIST MS number 118

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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

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone599.Farkas, Héberger, et al., 2004Program: not specified

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Tarasenko, Tishenkov, et al., 1986
Tarasenko, N.A.; Tishenkov, A.A.; Zaikin, V.G.; Volkova, V.V.; Gusel'nikov, L.E., Adiabatic ionization energy of methylenimine, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 10, 2196. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Kiser and Gallegos, 1962
Kiser, R.W.; Gallegos, E.J., A technique for the rapid determination of ionization and appearance potentials, J. Phys. Chem., 1962, 66, 947. [all data]

Gallegos and Kiser, 1962
Gallegos, E.J.; Kiser, R.W., Electron impact spectroscopy of the four- and five-membered, saturated heterocyclic compounds containing nitrogen, oxygen and sulfur, J. Phys. Chem., 1962, 66, 136. [all data]

Yoshikawa, Hashimoto, et al., 1974
Yoshikawa, K.; Hashimoto, M.; Morishima, I., Photoelectron spectroscopic study of cyclic amines. The relation between ionization potentials, basicities, and s character of the nitrogen lone pair electrons, J. Am. Chem. Soc., 1974, 96, 288. [all data]

Holmes, Lossing, et al., 1992
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., Concerning the heats of formation of CH2NH and CH2NH+, Chem. Phys. Lett., 1992, 198, 211. [all data]

Burgers, Holmes, et al., 1984
Burgers, P.C.; Holmes, J.L.; Terlouw, J.K., Gaseous [H2,C,N]+ and [H3,C,N]+ ions. Generation of formation, and dissociation characteristics of [H2CN]+, [HCNH]+, [CNH2]+, [H2CNH]+, and [HCN]+, J. Am. Chem. Soc., 1984, 106, 2762. [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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