Propane, 1-bromo-2-methyl-

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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:
L - Sharon G. Lias

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

Quantity Value Units Method Reference Comment
IE (evaluated)10.09 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.11ESTLuo and Pacey, 1992LL
10.09PEKimura, Katsumata, et al., 1981LLK
10.10 ± 0.015PEHashmall and Heilbronner, 1970RDSH
10.09 ± 0.02PIWatanabe, Nakayama, et al., 1962RDSH

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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Column type Active phase Temperature (C) I Reference Comment
PackedSqualane27.666.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.671.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.676.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.680.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane65.674.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.2 m
PackedSqualane78.677.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.2 m
PackedSqualane100.680.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.5 m
PackedSqualane65.672.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.5 m
PackedSqualane78.675.Adlard, Evans, et al., 1965Ar, Celite; Column length: 1.5 m
PackedSqualane100.681.Adlard, Evans, et al., 1965N2, Celite; Column length: 1.8 m
PackedSqualane65.673.Adlard, Evans, et al., 1965N2, Celite; Column length: 1.8 m
PackedSqualane78.676.Adlard, Evans, et al., 1965N2, Celite; Column length: 1.8 m
PackedSqualane100.679.Adlard, Evans, et al., 1965Mixture, Celite; Column length: 1.5 m
PackedSqualane65.673.Adlard, Evans, et al., 1965Mixture, Celite; Column length: 1.5 m
PackedSqualane78.676.Adlard, Evans, et al., 1965Mixture, Celite; Column length: 1.5 m
PackedSqualane100.686.Adlard, Evans, et al., 1965He, Celite; Column length: 0.9 m
PackedSqualane65.677.Adlard, Evans, et al., 1965He, Celite; Column length: 0.9 m
PackedSqualane78.679.Adlard, Evans, et al., 1965He, Celite; Column length: 0.9 m
PackedSqualane100.682.Adlard, Evans, et al., 1965 
PackedSqualane65.674.Adlard, Evans, et al., 1965 
PackedSqualane78.677.Adlard, Evans, et al., 1965 
PackedApiezon L130.711.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)
PackedApiezon L70.699.von Kováts, 1958Celite (40:60 Gewichtsverhaltnis)

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone677.Zenkevich and Marinichev, 2001Program: not specified

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.

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Hashmall and Heilbronner, 1970
Hashmall, J.A.; Heilbronner, E., n-Ionization potentials of alkyl bromides, Angew. Chem. Intern. Ed., 1970, 9, 305. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [all data]

Adlard, Evans, et al., 1965
Adlard, E.R.; Evans, M.B.; Butlin, A.G.; Evans, R.S.; Hill, R.; Huber, J.F.K.; Littlewood, A.B.; McCambley, W.G.; Smith, J.F.; Swanton, W.T.; Swoboda, P.A.T., Recommendations of the data sub-committee for the publication of retention data, J. Gas Chromatogr., 1965, 3, 9, 298-302, https://doi.org/10.1093/chromsci/3.9.298 . [all data]

von Kováts, 1958
von Kováts, E., 206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone, Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703 . [all data]

Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N., Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian), Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]


Notes

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