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Benzene, 1-chloro-4-methoxy-

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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
Tboil473.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Deltavap54.8 ± 0.8kJ/molCRibeiro da Silva and Ferreira, 2008AC

Gas phase ion energetics data

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.25 ± 0.03PIPonomarev, Arapov, et al., 1986LBLHLM
7.79EIRussell, Freiser, et al., 1983LBLHLM
8.18EICooks, Bertrand, et al., 1973LLK
8.5 ± 0.1EIBrown, 1970RDSH
8.25 ± 0.15CTSVoigt and Reid, 1964RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H4ClO+11.99 ± 0.05CH3PIPonomarev, Arapov, et al., 1986LBLHLM
C6H4ClO+11.8 ± 0.1CH3EIBrown, 1970RDSH
C6H5Cl+11.42HCHOEICooks, Bertrand, et al., 1973LLK
C6H5Cl+11.6 ± 0.1CH2OEIBrown, 1970RDSH
C6H7+10.02?EIRussell, Freiser, et al., 1983LBLHLM
C7H7O+10.42ClEIRussell, Freiser, et al., 1983LBLHLM

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, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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

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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, 1990.
NIST MS number 118553

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.


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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedApolane150.1120.Evans and Haken, 1987He, Chromosorb G AW DCMS; Column length: 3.7 m
PackedApolane150.1120.Haken and Vernon, 1986Chromosorb G AW DCMS; Column length: 3.7 m
CapillarySE-30140.1090.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.3 mm
CapillarySE-30160.1094.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.3 mm
CapillarySE-30180.1108.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.3 mm

Kovats' RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
PackedApiezon M1131.7Jalali-Heravi and Garkani-Nejad, 1993Chromosorb W; Column length: 2. m; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M150.1592.Haken and Vernon, 1986Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm
CapillaryOV-351140.1648.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.1656.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.1645.Korhonen, 1984N2; Column length: 25. m; Column diameter: 0.32 mm

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

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Column type Active phase I Reference Comment
CapillaryOV-11079.5Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillarySE-301093.Korhonen, 1984N2, 10. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C
CapillarySE-301082.Korhonen, 1984N2, 2. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C
CapillarySE-301090.Korhonen, 1984N2, 6. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C

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

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Column type Active phase I Reference Comment
CapillaryVF-5MS1123.5Tret'yakov, 200730. m/0.25 mm/0.25 «mu»m, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C

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

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Column type Active phase I Reference Comment
CapillaryOV-3511630.Korhonen, 1984N2, 10. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C
CapillaryOV-3511607.Korhonen, 1984N2, 2. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C
CapillaryOV-3511613.Korhonen, 1984N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryUltra-11077.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C

References

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

Ribeiro da Silva and Ferreira, 2008
Ribeiro da Silva, Manuel A.V.; Ferreira, Ana I.M.C. Lobo, Standard molar enthalpies of formation of the three isomers of chloroanisole, The Journal of Chemical Thermodynamics, 2008, 40, 3, 362-368, https://doi.org/10.1016/j.jct.2007.10.001 . [all data]

Ponomarev, Arapov, et al., 1986
Ponomarev, D.A.; Arapov, O.V.; Sergeev, Y.L.; Chistyakov, A.B., [Title unavailable], Izv. Vyssh. Uchebn. Zaved., Khim. Khim. Tekhnol., 1986, 29, 107. [all data]

Russell, Freiser, et al., 1983
Russell, D.H.; Freiser, B.S.; McBay, E.H.; Canada, D.C., The structure of decomposing [C7H7O]+ ions: Benzyl versus tropylium ion structures, Org. Mass Spectrom., 1983, 18, 474. [all data]

Cooks, Bertrand, et al., 1973
Cooks, R.G.; Bertrand, M.; Beynon, J.H.; Rennekamp, M.E.; Setser, D.W., Energy partitioning data as an ion structure probe. Substituted anisoles, J. Am. Chem. Soc., 1973, 95, 1732. [all data]

Brown, 1970
Brown, P., Kinetic studies in mass spectrometry. VIII. Competing [M-CH3] and [M-CH2O] reactions in substituted anisoles. Approximate activation energies from ionization appearance potentials, Org. Mass Spectrom., 1970, 4, 519. [all data]

Voigt and Reid, 1964
Voigt, E.M.; Reid, C., Ionization potentials of substituted benzenes and their charge-transfer spectra with tetracyanoethylene, J. Am. Chem. Soc., 1964, 86, 3930. [all data]

Evans and Haken, 1987
Evans, M.B.; Haken, J.K., Dispersion and selectivity indices of the halogenated derivatives of cyclohexane, benzene and anisole, J. Chromatogr., 1987, 389, 240-244, https://doi.org/10.1016/S0021-9673(01)94428-0 . [all data]

Haken and Vernon, 1986
Haken, J.K.; Vernon, F., Gas chromatography of halogenated derivatives of cyclohexane, benzene and anisole, J. Chromatogr., 1986, 361, 57-61, https://doi.org/10.1016/S0021-9673(01)86893-X . [all data]

Korhonen, 1984
Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XXVIII. Capillary Column Studies of Chlorinated Anisoles, J. Chromatogr., 1984, 294, 99-116, https://doi.org/10.1016/S0021-9673(01)96118-7 . [all data]

Jalali-Heravi and Garkani-Nejad, 1993
Jalali-Heravi, M.; Garkani-Nejad, Z., Prediction of gas chromatographic retention indices of some benzene derivatives, J. Chromatogr., 1993, 648, 2, 389-393, https://doi.org/10.1016/0021-9673(93)80421-4 . [all data]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]

Tret'yakov, 2007
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]


Notes

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