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Benzene, (fluoromethyl)-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-30.18 ± 0.17kcal/molCcrSchaffer, Verevkin, et al., 1997 

Condensed phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-41.25 ± 0.16kcal/molCcrSchaffer, Verevkin, et al., 1997 
Quantity Value Units Method Reference Comment
Deltacliquid-899.34 ± 0.16kcal/molCcrSchaffer, Verevkin, et al., 1997 

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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil412.KN/APCR Inc., 1990BS
Tboil413.KN/AAmerican Tokyo Kasei, 1988BS
Quantity Value Units Method Reference Comment
Tfus210.7KN/AMeva'a and Lichanot, 1990Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Deltavap11.0 ± 0.07kcal/molGSKrasnykh, Vasiltsova, et al., 2002Based on data from 278. - 318. K.; AC
Deltavap11.1kcal/molCGCKrasnykh, Vasiltsova, et al., 2002AC
Deltavap11.07 ± 0.062kcal/molVSchaffer, Verevkin, et al., 1997ALS
Deltavap11.1 ± 0.07kcal/molGSSchaffer, Verevkin, et al., 1997Based on data from 278. - 318. K.; AC
Deltavap10.6 ± 0.1kcal/molN/AAshcroft, 1976AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
413.00.991Weast and Grasselli, 1989BS
313.20.018Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
10.4312.AStephenson and Malanowski, 1987Based on data from 297. - 410. K.; AC
10.6312.IAshcroft, 1976Based on data from 298. - 356. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Fluorine anion + Benzene, (fluoromethyl)- = (Fluorine anion bullet Benzene, (fluoromethyl)-)

By formula: F- + C7H7F = (F- bullet C7H7F)

Quantity Value Units Method Reference Comment
Deltar24.4 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase
Quantity Value Units Method Reference Comment
Deltar16.5 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase

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 NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction 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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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-7141
NIST MS number 235765

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction 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.

Schaffer, Verevkin, et al., 1997
Schaffer, F.; Verevkin, S.P.; Rieger, H.J.; Beckhaus, H.D.; Ruchardt, C., Enthalpies of formation of a series of fluorinated hydrocarbons and strain-free group increments to assess polar and anomeric stabilization and strain, Liebigs Ann., 1997, 1333-1344. [all data]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Meva'a and Lichanot, 1990
Meva'a, L.M.; Lichanot, A., Thermodynamic properties in condensed phase of ortho, meta and para fluorotoluene, cresol and toluidine, Thermochim. Acta, 1990, 158, 335. [all data]

Krasnykh, Vasiltsova, et al., 2002
Krasnykh, Eugen L.; Vasiltsova, Tatiana V.; Verevkin, Sergey P.; Heintz, Andreas, Vapor Pressures and Enthalpies of Vaporization of Benzyl Halides and Benzyl Ethers, J. Chem. Eng. Data, 2002, 47, 6, 1372-1378, https://doi.org/10.1021/je020034h . [all data]

Ashcroft, 1976
Ashcroft, Stanley J., Vapor pressures and enthalpies of vaporization of benzyl halides, J. Chem. Eng. Data, 1976, 21, 4, 397-398, https://doi.org/10.1021/je60071a009 . [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]


Notes

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