Benzene, 1,4-dichloro-

• Formula: C₆H₄Cl₂
• Molecular weight: 147.002
• IUPAC Standard InChI: InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H Copy

  
• IUPAC Standard InChIKey: OCJBOOLMMGQPQU-UHFFFAOYSA-N Copy
• CAS Registry Number: 106-46-7
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Isotopologues:
  • 1,4-Dichlorobenzene-D4
• Other names: Benzene, p-dichloro-; p-Chlorophenyl chloride; p-Dichlorobenzene; Di-chloricide; Evola; Paradi; Paradow; Paramoth; Persia-Perazol; PDB; Santochlor; 1,4-Dichlorobenzene; p-Dichlorobenzol; Paradichlorobenzol; para-Dichlorobenzene; p-Dichloorbenzeen; p-Dichlorbenzol; p-Diclorobenzene; Dichlorobenzene; Dichlorobenzene, p-; NCI-C54955; para crystals; Paracide; Paranuggets; Parazene; 1,4-Dichloorbenzeen; 1,4-Dichlor-benzol; 1,4-Diclorobenzene; Dichlorobenzene, para; Globol; Paradichlorbenzol; Rcra waste number U070; Rcra waste number U071; Rcra waste number U072; UN 1592; Dichlorocide; Kaydox; p-Dichlorbenzene; NSC 36935; 1,4-chlorobenzene
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• Information on this page:
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • IR Spectrum
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  • Gas Phase Kinetics Database
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Gas phase ion energetics data

Go To: Top, 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
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

Appearance energy determinations

De-protonation reactions

C₆H₃Cl₂^- +  =

By formula: C₆H₃Cl₂^- + H⁺ = C₆H₄Cl₂

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, 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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Additional Data

Gas Chromatography

Go To: Top, Gas phase ion energetics 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, temperature ramp

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

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Kovats' RI, polar column, isothermal

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

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

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

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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

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

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References

Go To: Top, Gas phase ion energetics data, 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.

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Maier, J.P.; Marthaler, O., Emission spectra of the radical cations of 1,3-dichlorobenzene, 1,4-dichlorobenzene and 1,3,5-trichlorobenzene in the gas phase, Chem. Phys., 1978, 32, 419. [all data]

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Notes

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

• Symbols used in this document:
  

  AE	Appearance energy
  IE (evaluated)	Recommended ionization energy
  ΔfH(+) ion,0K	Enthalpy of formation of positive ion at 0K
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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