Acetyl bromide
- Formula: C2H3BrO
- Molecular weight: 122.949
- IUPAC Standard InChIKey: FXXACINHVKSMDR-UHFFFAOYSA-N
- CAS Registry Number: 506-96-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: CH3COBr; UN 1716
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Condensed phase thermochemistry data
Go To: Top, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -53.37 ± 0.15 | kcal/mol | Cm | Devore and O'Neal, 1969 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -53.92 ± 0.07 kcal/mol; Heat of hydrolysis |
ΔfH°liquid | -53.9 ± 0.13 | kcal/mol | Cm | Carson and Skinner, 1949 |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, 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 by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CHEMICAL COMPANY |
Source reference | COBLENTZ NO. 1032 |
Date | Not specified, most likely prior to 1970 |
State | SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-450 CM-1) |
Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
Path length | 0.011 CM, 0.012 CM SPECTRAL CONTAMINATION DUE TO CS2 AROUND 850, AND CCl4 AROUND 700-800, 1550 CM-1 |
Resolution | 4 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry 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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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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-2819 |
NIST MS number | 230507 |
References
Go To: Top, Condensed phase thermochemistry 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.
Devore and O'Neal, 1969
Devore, J.A.; O'Neal, H.E.,
Heats of formation of the acetyl halides and of the acetyl radical,
J. Phys. Chem., 1969, 73, 2644-2648. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Carson and Skinner, 1949
Carson, A.S.; Skinner, H.A.,
201. Carbon-halogen bond energies in the acetyl halides,
J. Chem. Soc., 1949, 936-939. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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