Chloromethane

• Formula: CH₃Cl
• Molecular weight: 50.488
• IUPAC Standard InChI: InChI=1S/CH3Cl/c1-2/h1H3 Copy

  
• IUPAC Standard InChIKey: NEHMKBQYUWJMIP-UHFFFAOYSA-N Copy
• CAS Registry Number: 74-87-3
• 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.
• Other names: Methane, chloro-; Methyl chloride; Artic; Freon 40; Monochloromethane; CH3Cl; Chloor-methaan; Chlor-methan; Chlorure de methyle; Clorometano; Cloruro di metile; Methylchlorid; Metylu chlorek; R 40; Rcra waste number U045; UN 1063; Refrigerant R40
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Ion clustering data
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Henry's Law data
  • Gas phase ion energetics 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:
  • Switch to SI units

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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.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Enthalpy of vaporization

Entropy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

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
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^- + CH₃Cl = (Cl^- • CH₃Cl)

CH₂Cl^- +  =

By formula: CH₂Cl^- + H⁺ = CH₃Cl

(CH₂Cl⁺ • ) +  = (CH₂Cl⁺ • 2)

By formula: (CH₂Cl⁺ • CH₃Cl) + CH₃Cl = (CH₂Cl⁺ • 2CH₃Cl)

Free energy of reaction

(CH₄Cl⁺ • ) +  = (CH₄Cl⁺ • 2)

By formula: (CH₄Cl⁺ • CH₃Cl) + CH₃Cl = (CH₄Cl⁺ • 2CH₃Cl)

Free energy of reaction

CH₂Cl⁺ +  = (CH₂Cl⁺ • )

By formula: CH₂Cl⁺ + CH₃Cl = (CH₂Cl⁺ • CH₃Cl)

Free energy of reaction

C₃H₇⁺ +  = (C₃H₇⁺ • )

By formula: C₃H₇⁺ + CH₃Cl = (C₃H₇⁺ • CH₃Cl)

 +  = ( • )

By formula: CH₃⁺ + CH₃Cl = (CH₃⁺ • CH₃Cl)

 +  = ( • )

By formula: Br^- + CH₃Cl = (Br^- • CH₃Cl)

CN^- +  = (CN^- • )

By formula: CN^- + CH₃Cl = (CN^- • CH₃Cl)

CH₃Cl₂^- + 2 = C₂H₆Cl₃^-

By formula: CH₃Cl₂^- + 2CH₃Cl = C₂H₆Cl₃^-

C₂H₆Cl₃^- + 3 = C₃H₉Cl₄^-

By formula: C₂H₆Cl₃^- + 3CH₃Cl = C₃H₉Cl₄^-

C₃H₉Cl₄^- + 4 = C₄H₁₂Cl₅^-

By formula: C₃H₉Cl₄^- + 4CH₃Cl = C₄H₁₂Cl₅^-

C₄H₁₂Cl₅^- + 5 = C₅H₁₅Cl₆^-

By formula: C₄H₁₂Cl₅^- + 5CH₃Cl = C₅H₁₅Cl₆^-

C₅H₁₅Cl₆^- + 6 = C₆H₁₈Cl₇^-

By formula: C₅H₁₅Cl₆^- + 6CH₃Cl = C₆H₁₈Cl₇^-

C₆H₁₈Cl₇^- + 7 = C₇H₂₁Cl₈^-

By formula: C₆H₁₈Cl₇^- + 7CH₃Cl = C₇H₂₁Cl₈^-

C₇H₂₁Cl₈^- + 8 = C₈H₂₄Cl₉^-

By formula: C₇H₂₁Cl₈^- + 8CH₃Cl = C₈H₂₄Cl₉^-

C₂H₅⁺ +  = (C₂H₅⁺ • )

By formula: C₂H₅⁺ + CH₃Cl = (C₂H₅⁺ • CH₃Cl)

 +  = ( • )

By formula: Li⁺ + CH₃Cl = (Li⁺ • CH₃Cl)

C₄H₉⁺ +  = (C₄H₉⁺ • )

By formula: C₄H₉⁺ + CH₃Cl = (C₄H₉⁺ • CH₃Cl)

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + CH₃Cl = (CH₆N⁺ • CH₃Cl)

 +  =  + 

By formula: H₂ + CH₃Cl = CH₄ + HCl

Ion clustering 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

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^- + CH₃Cl = (Br^- • CH₃Cl)

CH₂Cl⁺ +  = (CH₂Cl⁺ • )

By formula: CH₂Cl⁺ + CH₃Cl = (CH₂Cl⁺ • CH₃Cl)

Free energy of reaction

(CH₂Cl⁺ • ) +  = (CH₂Cl⁺ • 2)

By formula: (CH₂Cl⁺ • CH₃Cl) + CH₃Cl = (CH₂Cl⁺ • 2CH₃Cl)

Free energy of reaction

 +  = ( • )

By formula: CH₃⁺ + CH₃Cl = (CH₃⁺ • CH₃Cl)

CH₃Cl₂^- + 2 = C₂H₆Cl₃^-

By formula: CH₃Cl₂^- + 2CH₃Cl = C₂H₆Cl₃^-

(CH₄Cl⁺ • ) +  = (CH₄Cl⁺ • 2)

By formula: (CH₄Cl⁺ • CH₃Cl) + CH₃Cl = (CH₄Cl⁺ • 2CH₃Cl)

Free energy of reaction

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + CH₃Cl = (CH₆N⁺ • CH₃Cl)

CN^- +  = (CN^- • )

By formula: CN^- + CH₃Cl = (CN^- • CH₃Cl)

C₂H₅⁺ +  = (C₂H₅⁺ • )

By formula: C₂H₅⁺ + CH₃Cl = (C₂H₅⁺ • CH₃Cl)

C₂H₆Cl₃^- + 3 = C₃H₉Cl₄^-

By formula: C₂H₆Cl₃^- + 3CH₃Cl = C₃H₉Cl₄^-

C₃H₇⁺ +  = (C₃H₇⁺ • )

By formula: C₃H₇⁺ + CH₃Cl = (C₃H₇⁺ • CH₃Cl)

C₃H₉Cl₄^- + 4 = C₄H₁₂Cl₅^-

By formula: C₃H₉Cl₄^- + 4CH₃Cl = C₄H₁₂Cl₅^-

C₄H₉⁺ +  = (C₄H₉⁺ • )

By formula: C₄H₉⁺ + CH₃Cl = (C₄H₉⁺ • CH₃Cl)

C₄H₁₂Cl₅^- + 5 = C₅H₁₅Cl₆^-

By formula: C₄H₁₂Cl₅^- + 5CH₃Cl = C₅H₁₅Cl₆^-

C₅H₁₅Cl₆^- + 6 = C₆H₁₈Cl₇^-

By formula: C₅H₁₅Cl₆^- + 6CH₃Cl = C₆H₁₈Cl₇^-

C₆H₁₈Cl₇^- + 7 = C₇H₂₁Cl₈^-

By formula: C₆H₁₈Cl₇^- + 7CH₃Cl = C₇H₂₁Cl₈^-

C₇H₂₁Cl₈^- + 8 = C₈H₂₄Cl₉^-

By formula: C₇H₂₁Cl₈^- + 8CH₃Cl = C₈H₂₄Cl₉^-

 +  = ( • )

By formula: Cl^- + CH₃Cl = (Cl^- • CH₃Cl)

 +  = ( • )

By formula: Li⁺ + CH₃Cl = (Li⁺ • CH₃Cl)

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

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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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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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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Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Zenkevich, Eliseenkov, et al., 2006
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N., Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds, Mass Spectromery (Rus.), 2006, 3, 2, 131-140. [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Zenkevich, 1999
Zenkevich, I.G., Mutual Correlation between Gas-Chromatographic Retention Indices of Organic Compounds from Different Series, Zh. Anal. Khim., 1999, 54, 12, 1272-1279. [all data]

Zenkevich, 1998
Zenkevich, I.G., Reciprocally Unambiguous Conformity Between GC Retention Indices and Boiling Points within Two- and Multidimensional Taxonomic Groups of Organic Compounds, J. Hi. Res. Chromatogr., 1998, 21, 10, 565-568, https://doi.org/10.1002/(SICI)1521-4168(19981001)21:10<565::AID-JHRC565>3.0.CO;2-6 . [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, References

• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  Pc	Critical pressure
  Ptriple	Triple point pressure
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  S°liquid	Entropy of liquid at standard conditions
  T	Temperature
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔcH°gas	Enthalpy of combustion of gas at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions
  ΔvapS	Entropy of vaporization
  ρc	Critical density

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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