Trichloromethane

• Formula: CHCl₃
• Molecular weight: 119.378
• IUPAC Standard InChI: InChI=1S/CHCl3/c2-1(3)4/h1H Copy

  
• IUPAC Standard InChIKey: HEDRZPFGACZZDS-UHFFFAOYSA-N Copy
• CAS Registry Number: 67-66-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Isotopologues:
  • Chloroform, deutero-
  • Chloroform, deutero-
  • Methane-d, trichloro-
• Other names: Chloroform; Freon 20; Methane, trichloro-; R 20; Trichloroform; CHCl3; Formyl trichloride; Methane trichloride; Methenyl trichloride; Methyl trichloride; Chloroforme; Cloroformio; NCI-C02686; R 20 (refrigerant); Trichloormethaan; Trichlormethan; Triclorometano; Rcra waste number U044; UN 1888; NSC 77361; F 20
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Ion clustering data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
• Options:
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.

Gas Phase Heat Capacity (Shomate Equation)

C_p° = A + B*t + C*t² + D*t³ + E/t²
H° − H°_298.15= A*t + B*t²/2 + C*t³/3 + D*t⁴/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t²/2 + D*t³/3 − E/(2*t²) + G
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

 +  = ( • )

By formula: Cl^- + CHCl₃ = (Cl^- • CHCl₃)

CCl₃^- +  =

By formula: CCl₃^- + H⁺ = CHCl₃

CN^- +  = (CN^- • )

By formula: CN^- + CHCl₃ = (CN^- • CHCl₃)

C₈H₆MoO₃ (solution) +  (solution) =  (solution) +  (solution)

By formula: C₈H₆MoO₃ (solution) + CCl₄ (solution) = C₈H₅ClMoO₃ (solution) + CHCl₃ (solution)

 +  = ( • )

By formula: Br^- + CHCl₃ = (Br^- • CHCl₃)

CHCl₄^- + 2 = C₂H₂Cl₇^-

By formula: CHCl₄^- + 2CHCl₃ = C₂H₂Cl₇^-

C₂H₂Cl₇^- + 3 = C₃H₃Cl₁₀^-

By formula: C₂H₂Cl₇^- + 3CHCl₃ = C₃H₃Cl₁₀^-

C₄H₉⁺ +  = (C₄H₉⁺ • )

By formula: C₄H₉⁺ + CHCl₃ = (C₄H₉⁺ • CHCl₃)

 +  =  + 

By formula: HNaO + C₂HCl₃O = CHNaO₂ + CHCl₃

 +  =  + 

By formula: CHCl₃ + Cl₂ = CCl₄ + HCl

 +  = ( • )

By formula: I^- + CHCl₃ = (I^- • CHCl₃)

 +  =  + 

By formula: CHCl₃ + Br₂ = HBr + CBrCl₃

2 =  + 

By formula: 2CHCl₂F = CHCl₃ + CHClF₂

C₁₀H₁₂Mo (cr) + 2 (l) = C₁₀H₁₀Cl₂Mo (cr) + 2 (l)

By formula: C₁₀H₁₂Mo (cr) + 2CCl₄ (l) = C₁₀H₁₀Cl₂Mo (cr) + 2CHCl₃ (l)

C₁₀H₁₂W (cr) + 2 (l) = C₁₀H₁₀Cl₂W (cr) + 2 (l)

By formula: C₁₀H₁₂W (cr) + 2CCl₄ (l) = C₁₀H₁₀Cl₂W (cr) + 2CHCl₃ (l)

 +  =  + 

By formula: HBr + CBrCl₃ = CHCl₃ + Br₂

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering 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 evaluated as indicated in comments:
L - Sharon G. Lias

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

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

CCl₃^- +  =

By formula: CCl₃^- + H⁺ = CHCl₃

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = ( • )

By formula: Br^- + CHCl₃ = (Br^- • CHCl₃)

CHCl₄^- + 2 = C₂H₂Cl₇^-

By formula: CHCl₄^- + 2CHCl₃ = C₂H₂Cl₇^-

CN^- +  = (CN^- • )

By formula: CN^- + CHCl₃ = (CN^- • CHCl₃)

C₂H₂Cl₇^- + 3 = C₃H₃Cl₁₀^-

By formula: C₂H₂Cl₇^- + 3CHCl₃ = C₃H₃Cl₁₀^-

C₄H₉⁺ +  = (C₄H₉⁺ • )

By formula: C₄H₉⁺ + CHCl₃ = (C₄H₉⁺ • CHCl₃)

 +  = ( • )

By formula: Cl^- + CHCl₃ = (Cl^- • CHCl₃)

 +  = ( • )

By formula: I^- + CHCl₃ = (I^- • CHCl₃)

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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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, polar column, isothermal

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Kovats' RI, polar column, temperature ramp

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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, polar column, temperature ramp

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

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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, isothermal

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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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Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Gas Chromatography, References

• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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