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2-Bromopropanoic acid


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 by: Robert L. Brown and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil476.2KN/AAldrich Chemical Company Inc., 1990 

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C3H4BrO2- + Hydrogen cation = 2-Bromopropanoic acid

By formula: C3H4BrO2- + H+ = C3H5BrO2

Quantity Value Units Method Reference Comment
Deltar1409. ± 8.8kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase
Deltar1407. ± 8.8kJ/molG+TSCaldwell, McMahon, et al., 1985gas phase
Quantity Value Units Method Reference Comment
Deltar1380. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase
Deltar1377. ± 8.4kJ/molIMRECaldwell, McMahon, et al., 1985gas phase

Gas phase ion energetics data

Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO2+11.82BrCHCH3EIHolmes and Lossing, 1988LL
C2H5Br+10.70CO2EIBlanchette, Holmes, et al., 1987LBLHLM

De-protonation reactions

C3H4BrO2- + Hydrogen cation = 2-Bromopropanoic acid

By formula: C3H4BrO2- + H+ = C3H5BrO2

Quantity Value Units Method Reference Comment
Deltar1409. ± 8.8kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Deltar1407. ± 8.8kJ/molG+TSCaldwell, McMahon, et al., 1985gas phase; B
Quantity Value Units Method Reference Comment
Deltar1380. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Deltar1377. ± 8.4kJ/molIMRECaldwell, McMahon, et al., 1985gas phase; B

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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

Spectrum

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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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 Japan AIST/NIMC Database- Spectrum MS-NW-8494
NIST MS number 228696

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

Caldwell, McMahon, et al., 1985
Caldwell, G.; McMahon, T.B.; Kebarle, P.; Bartmess, J.E.; Kiplinger, J.P., Methyl substituent effects in the gas phase acidities of halosubstituted oxygen acids. A realignment with substituent effects in solution, J. Am. Chem. Soc., 1985, 107, 80. [all data]

Holmes and Lossing, 1988
Holmes, J.L.; Lossing, F.P., Heats of formation and bond dissociation energies in halogen-substituted methyl and ethyl radicals, J. Am. Chem. Soc., 1988, 110, 7343. [all data]

Blanchette, Holmes, et al., 1987
Blanchette, M.C.; Holmes, J.L.; Lossing, F.P., The ethyl halides: Stable neutral and radical cation isomers [C2, H5, X] where X = F, Cl, Br, I, Org. Mass Spectrom., 1987, 22, 701. [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References