N-Allyl-N,N-dimethylamine

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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:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
Proton affinity (review)957.8kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity926.8kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.84 ± 0.03PILoguinov, Takhistov, et al., 1981LLK
7.84PIAkopyan, Vilesov, et al., 1975LLK
7.84 ± 0.05PEAkopyan and Loginov, 1974LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H6N+8.58C3H5PIAkopyan, Vilesov, et al., 1975LLK
C3H5+9.55C2H6NPIAkopyan, Vilesov, et al., 1975LLK
C3H6+9.58C2H5NPIAkopyan, Vilesov, et al., 1975LLK
C3H8N+9.55 ± 0.05C2H3PILoguinov, Takhistov, et al., 1981LLK
C3H8N+9.55C2H3PIAkopyan, Vilesov, et al., 1975LLK
C4H8N+9.62CH3PIAkopyan, Vilesov, et al., 1975LLK
C5H10N+9.56HPIAkopyan, Vilesov, et al., 1975LLK

De-protonation reactions

C5H10N- + Hydrogen cation = N-Allyl-N,N-dimethylamine

By formula: C5H10N- + H+ = C5H11N

Quantity Value Units Method Reference Comment
Δr1626. ± 17.kJ/molG+TSDahlke and Kass, 1991gas phase; Between H2O, furan. Reprotonation site uncertain; B
Quantity Value Units Method Reference Comment
Δr1598. ± 17.kJ/molIMRBDahlke and Kass, 1991gas phase; Between H2O, furan. Reprotonation site uncertain; B

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, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101604.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

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.

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]

Loguinov, Takhistov, et al., 1981
Loguinov, Y.; Takhistov, V.V.; Vatlina, L.P., Photoionization studies of substituted trimethylamines, Org. Mass Spectrom., 1981, 16, 239. [all data]

Akopyan, Vilesov, et al., 1975
Akopyan, M.E.; Vilesov, F.I.; Loginov, Y.V., Photoionization of amines and the monomolecular decomposition of excited molecular ions, Khim. Vys. Energ., 1975, 9, 327. [all data]

Akopyan and Loginov, 1974
Akopyan, M.E.; Loginov, Yu.V., Photoelectron spectra of trimethylamine derivatives, Opt. Spectrosc., 1974, 37, 250, In original 442. [all data]

Dahlke and Kass, 1991
Dahlke, G.D.; Kass, S.R., Substituent Effects in the Gas Phase - 1-Substituted Allyl Anions, J. Am. Chem. Soc., 1991, 113, 15, 5566, https://doi.org/10.1021/ja00015a008 . [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]


Notes

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