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Methanone, (4-chlorophenyl)phenyl-


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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Deltasub108.2 ± 0.3kJ/molMERibeiro da Silva, Amaral, et al., 2007Based on data from 320. - 338. K.; AC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
468.70.023Aldrich Chemical Company Inc., 1990BS

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
105.4 ± 0.3329.MERibeiro da Silva, Amaral, et al., 2007Based on data from 320. - 338. K.; AC

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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.833 ± 0.048IMREFukuda and McIver, 1985«DELTA»Gea(355 K) = -20.4 kcal/mol; «DELTA»Sea = 3.5, est. from data in Kebarle and Chowdhury, 1987; B
0.859 ± 0.087IMREHuh, Kang, et al., 1999«DELTA»G(EA) 343K; anchored to «DELTA»G value. Including anchor «DELTA»S, EA is ca. 0.4 kcal/mol more bound.; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.6 ± 0.1EIHeller, Varmuza, et al., 1974LLK
9.68 ± 0.01EIFoffani, Pignataro, et al., 1964RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H4Cl+15.7 ± 0.3?EIKrenmayr, Heller, et al., 1974LLK
C6H5+15.2 ± 0.3?EIKrenmayr, Heller, et al., 1974LLK
C7H4OCl+11.7 ± 0.2C6H5EIHeller, Varmuza, et al., 1974LLK
C7H5O+11.5 ± 0.1?EIKrenmayr, Heller, et al., 1974LLK
C13H9O+11.1 ± 0.2?EIKrenmayr, Heller, et al., 1974LLK

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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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)

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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 Japan AIST/NIMC Database- Spectrum MS-NW-8778
NIST MS number 229197

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.


UV/Visible 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Lang (editor), 1968
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19116
Instrument Unicam SP 700
Melting point 75-77

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
CapillaryHP-11850.Maurer and Pfleger, 198812. m/0.20 mm/0.33 «mu»m, He, 100. C @ 3. min, 30. K/min, 310. C @ 5. min
CapillaryHP-11850.Maurer and Pfleger, 198812. m/0.20 mm/0.33 «mu»m, He, 100. C @ 3. min, 30. K/min, 310. C @ 5. min
CapillaryHP-11850.Maurer and Pfleger, 198812. m/0.20 mm/0.33 «mu»m, He, 100. C @ 3. min, 30. K/min, 310. C @ 5. min
CapillaryHP-11850.Maurer and Pfleger, 198812. m/0.20 mm/0.33 «mu»m, He, 100. C @ 3. min, 30. K/min, 310. C @ 5. min

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

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

Ribeiro da Silva, Amaral, et al., 2007
Ribeiro da Silva, Manuel A.V.; Amaral, Luísa M.P.F.; Gomes, José R.B., Experimental and Computational Studies on the Molecular Energetics of Chlorobenzophenones, J. Phys. Chem. B, 2007, 111, 45, 13033-13040, https://doi.org/10.1021/jp076522j . [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Fukuda and McIver, 1985
Fukuda, E.K.; McIver, R.T., Jr., Relative electron affinities of substituted benzophenones, nitrobenzenes, and quinones. [Anchored to EA(SO2) from 74CEL/BEN], J. Am. Chem. Soc., 1985, 107, 2291. [all data]

Kebarle and Chowdhury, 1987
Kebarle, P.; Chowdhury, S., Electron affinities and electron transfer reactions, Chem. Rev., 1987, 87, 513. [all data]

Huh, Kang, et al., 1999
Huh, C.; Kang, C.H.; Lee, H.W.; Nakamura, H.; Mishima, M.; Tsuno, Y.; Yamataka, H., Thermodynamic stabilities and resonance demand of aromatic radical anions in the gas phase, Bull. Chem. Soc. Japan, 1999, 72, 5, 1083-1091, https://doi.org/10.1246/bcsj.72.1083 . [all data]

Heller, Varmuza, et al., 1974
Heller, R.; Varmuza, K.; Krenmayr, P., Massenspektrometrische untersuchung des substituenteneffektes bei einfach substituierten benzophenonen, Monatsh. Chem., 1974, 105, 787. [all data]

Foffani, Pignataro, et al., 1964
Foffani, A.; Pignataro, S.; Cantone, B.; Grasso, F., Ionization potentials and substituent effects for aromatic carbonyl compounds, Z. Physik. Chem. (Frankfurt), 1964, 42, 221. [all data]

Krenmayr, Heller, et al., 1974
Krenmayr, P.; Heller, R.; Varmuza, K., Massenspektrometrische untersuchungen an benzophenon und substituierten benzophenonen. I. Ermittlung thermodynamischer grossen, Org. Mass Spectrom., 1974, 9, 998. [all data]

Lang (editor), 1968
Lang (editor), L., Absorption Spectra in the Ultraviolet and Visible Region, 1968, 10, 89. [all data]

Maurer and Pfleger, 1988
Maurer, H.; Pfleger, K., Toxicological detection of ethylenediamine and piperazine antihistamines and their metabolites in urine by computerized gas chromatography-mass spectrometry, Fresenius Z. Anal. Chem., 1988, 331, 7, 744-756, https://doi.org/10.1007/BF01105612 . [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References