Octane, 1-bromo-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Gas phase ion energetics data

Go To: Top, Gas Chromatography, References, Notes

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

Data compiled by: Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference
9.71ESTLuo and Pacey, 1992
9.54 ± 0.05EIHolmes and Lossing, 1991

Gas Chromatography

Go To: Top, Gas phase ion energetics data, References, Notes

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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-101100.1118.Zenkevich and Tsibulskaya, 1989Helium; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-101100.1119.Zenkevich and Tsibulskaya, 1989Helium; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-101100.1121.Zenkevich and Tsibulskaya, 1989Helium; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-101100.1122.Zenkevich and Tsibulskaya, 1989Helium; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-101100.1124.Zenkevich and Tsibulskaya, 1989Helium; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-101100.1126.Zenkevich and Tsibulskaya, 1989Helium; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-101100.1129.Zenkevich and Tsibulskaya, 1989Helium; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-101100.1130.Zenkevich and Tsibulskaya, 1989Helium; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-101100.1132.Zenkevich and Tsibulskaya, 1989Helium; Column length: 54. m; Column diameter: 0.26 mm
CapillaryOV-101100.1133.Zenkevich and Tsibulskaya, 1989Helium; Column length: 54. m; Column diameter: 0.26 mm
CapillarySqualane115.1119.Lafosse and Thuaud-Chourrout, 1975Column length: 100. m; Column diameter: 0.25 mm

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M100.1365.Castello and D'Amato, 1985He, Chromosorb W AW DMCS; Column length: 3. m
PackedCarbowax 20M125.1364.Castello and D'Amato, 1985He, Chromosorb W AW DMCS; Column length: 3. m
PackedCarbowax 20M75.1351.Castello and D'Amato, 1985He, Chromosorb W AW DMCS; Column length: 3. m

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-11138.Peng, 200015. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1373.Peng, 200015. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
CapillaryHP-Wax1368.Peng, 200015. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L130.1142.Arruda, Junkes, et al., 2008 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-1011133.Dimov and Milina, 1989H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 40. C; Tend: 280. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1132.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1385.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes

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]

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Zenkevich and Tsibulskaya, 1989
Zenkevich, I.G.; Tsibulskaya, I.A., Influence of Relative Amounts of Mixture Components on the Precision of Measurements of Gas Chromatographic Retention Indices, Zh. Anal. Khim. (Rus.), 1989, 44, 1, 90-96. [all data]

Lafosse and Thuaud-Chourrout, 1975
Lafosse, M.; Thuaud-Chourrout, N., Etude du comportement de composés halogénés et mèthoxylés en CG dans le cas de quatre phases stationnaires liquides pouvant former des liaisons de type donneur-accepteur d'électrons avec les groupes fonctionnels de ces composés, Chromatographia, 1975, 8, 4, 195-202, https://doi.org/10.1007/BF02274456 . [all data]

Castello and D'Amato, 1985
Castello, G.; D'Amato, G., Gas Chromatography Separation and Identification of Linear and Branched-Chain Alkyl Bromides, J. Chromatogr., 1985, 324, 363-371, https://doi.org/10.1016/S0021-9673(01)81335-2 . [all data]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [all data]

Arruda, Junkes, et al., 2008
Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F., Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds, J. Chemometrics, 2008, 22, 3-4, 186-194, https://doi.org/10.1002/cem.1121 . [all data]

Dimov and Milina, 1989
Dimov, N.; Milina, R., Precalculation of gas chromatographic retention indices of linear 1-halogenoalkanes, J. Chromatogr., 1989, 463, 159-164, https://doi.org/10.1016/S0021-9673(01)84464-2 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

Go To: Top, Gas phase ion energetics data, Gas Chromatography, References