Benzoic acid, 3-amino-, methyl ester


Reaction 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: John E. Bartmess

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Individual Reactions

C8H8NO2- + Hydrogen cation = Benzoic acid, 3-amino-, methyl ester

By formula: C8H8NO2- + H+ = C8NO2

Quantity Value Units Method Reference Comment
Δr360.6 ± 2.1kcal/molG+TSTaft and Topsom, 1987gas phase
Quantity Value Units Method Reference Comment
Δr353.3 ± 2.0kcal/molIMRETaft and Topsom, 1987gas phase

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 compiled by: John E. Bartmess

De-protonation reactions

C8H8NO2- + Hydrogen cation = Benzoic acid, 3-amino-, methyl ester

By formula: C8H8NO2- + H+ = C8NO2

Quantity Value Units Method Reference Comment
Δr360.6 ± 2.1kcal/molG+TSTaft and Topsom, 1987gas phase
Quantity Value Units Method Reference Comment
Δr353.3 ± 2.0kcal/molIMRETaft and Topsom, 1987gas phase

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 NIST Mass Spectrometry Data Center, 2010
NIST MS number 375344

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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

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1475.Todua, 201130. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. 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.

Taft and Topsom, 1987
Taft, R.W.; Topsom, R.D., The Nature and Analysis of Substituent Effects, Prog. Phys. Org. Chem., 1987, 16, 1. [all data]

Todua, 2011
Todua, N.G., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]


Notes

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