Naphthalene-D8

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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 by: William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δvap54.7kJ/molCGCZhao, Unhannanant, et al., 2008 

Enthalpy of sublimation

ΔsubH (kJ/mol) Temperature (K) Method Reference Comment
70.6 ± 0.5303.GSSonnefeld, Zoller, et al., 1983Based on data from 282. - 323. K.

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:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.12 ± 0.02TRPIGotkis, Oleinikova, et al., 1993LL
8.12 ± 0.01PIPECORuhl, Price, et al., 1989LL
8.138 ± 0.008SAngus, Christ, et al., 1968RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3D3+19.32(C7D5)PIJochims, Rasekh, et al., 1993LL
C5D3+19.90(C5D5)PIJochims, Rasekh, et al., 1993LL
C6D3+20.5 ± 0.5C4D5PIPECORuhl, Price, et al., 1989LL
C6D4+19.75C4D4PIPECORuhl, Price, et al., 1989LL
C6D5+18.87(C4D3)PIJochims, Rasekh, et al., 1993LL
C6D5+19.5C4D3PIPECORuhl, Price, et al., 1989LL
C6D6+15.83C4D2PIJochims, Rasekh, et al., 1993LL
C6D6+16.1 ± 0.1C4D2PIPECORuhl, Price, et al., 1989LL
C6D7+20.5 ± 0.5C4DPIPECORuhl, Price, et al., 1989LL
C7D3+20.5 ± 0.5C3D5PIPECORuhl, Price, et al., 1989LL
C7D4+20.0 ± 0.1C3D4PIPECORuhl, Price, et al., 1989LL
C7D5+16.60C3D3PIJochims, Rasekh, et al., 1993LL
C7D5+18.0 ± 0.1C3D3PIPECORuhl, Price, et al., 1989LL
C8D5+19.3 ± 0.1C2D3PIPECORuhl, Price, et al., 1989LL
C8D6+15.77C2D2PIJochims, Rasekh, et al., 1993LL
C8D6+12.72C2D2EVALGotkis, Oleinikova, et al., 1993T = 0K; LL
C8D6+14.8 ± 0.1C2D2TRPIGotkis, Oleinikova, et al., 1993LL
C8D6+16.0 ± 0.1C2D2PIPECORuhl, Price, et al., 1989LL
C10D6+≤17.7D2PIPECORuhl, Price, et al., 1989LL
C10D7+15.68DPIJochims, Rasekh, et al., 1993LL
C10D7+12.45DEVALGotkis, Oleinikova, et al., 1993T = 0K; LL
C10D7+15.5 ± 0.1DTRPIGotkis, Oleinikova, et al., 1993LL
C10D7+16.1 ± 0.1DPIPECORuhl, Price, et al., 1989LL

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 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)

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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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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 NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118441

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

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5199.3Donnelly, Abdel-Hamid, et al., 199330. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5199.48Reckendorf, 199725. m/0.2 mm/0.11 μm, He; Program: 106C(0.2min) => 40C/min => 120C => 3C/min => 310C(10min)

References

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

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

Zhao, Unhannanant, et al., 2008
Zhao, Hui; Unhannanant, Patamaporn; Hanshaw, William; Chickos, James S., Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects, J. Chem. Eng. Data, 2008, 53, 7, 1545-1556, https://doi.org/10.1021/je800091s . [all data]

Sonnefeld, Zoller, et al., 1983
Sonnefeld, W.J.; Zoller, W.H.; May, W.E., Dynamic coupled-column liquid-chromatographic determination of ambient-temperature vapor pressures of polynuclear aromatic hydrocarbons, Anal. Chem., 1983, 55, 2, 275-280, https://doi.org/10.1021/ac00253a022 . [all data]

Gotkis, Oleinikova, et al., 1993
Gotkis, Y.; Oleinikova, M.; Naor, M.; Lifshitz, C., Time-independent mass spectra and breakdown graphs. 17. Naphthalene and phenanthrene, J. Phys. Chem., 1993, 97, 12282. [all data]

Ruhl, Price, et al., 1989
Ruhl, E.; Price, S.D.; Leach, S., Single and double photoionization processes in naphthalene between 8 and 35 eV, J. Phys. Chem., 1989, 93, 6312. [all data]

Angus, Christ, et al., 1968
Angus, J.G.; Christ, B.J.; Morris, G.C., Absorption spectra in the vacuum ultraviolet and the ionization potentials of naphthalene and naphthalene-d, molecules, Australian J. Chem., 1968, 21, 2153. [all data]

Jochims, Rasekh, et al., 1993
Jochims, H.-W.; Rasekh, H.; Ruhl, E.; Baumgartel, H.; Leach, S., Deuterium isotope effects in the photofragmentation of naphthalene monocations, J. Phys. Chem., 1993, 97, 1312. [all data]

Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F., Application of gas chromatographic retention properties to the identification of environmental contaminants, J. Chromatogr., 1993, 642, 1-2, 409-415, https://doi.org/10.1016/0021-9673(93)80106-I . [all data]

Reckendorf, 1997
Reckendorf, R.M., Identification of phenyl-substituted polycyclic aromatic compounds in ring furnace gases using GC-MS and GC-AED, Chromatographia, 1997, 45, 1, 173-182, https://doi.org/10.1007/BF02505557 . [all data]


Notes

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