Fluoroform

• Formula: CHF₃
• Molecular weight: 70.0138
• IUPAC Standard InChI: InChI=1S/CHF3/c2-1(3)4/h1H Copy

  
• IUPAC Standard InChIKey: XPDWGBQVDMORPB-UHFFFAOYSA-N Copy
• CAS Registry Number: 75-46-7
• 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, trifluoro-; Arcton 1; Fluoryl; Freon F-23; Freon 23; Genetron 23; Methyl trifluoride; R 23; Trifluoromethane; CHF3; Arcton; Halocarbon 23; UN 1984; Carbon trifluoride; Genetron HFC23; Propellant 23; Refrigerant 23; FC 23 (fluorocarbon); FC 23; R 23 (halocarbon); HFC 23
• 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
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Henry's Law data
  • Fluid Properties
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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:
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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/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 by: 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Entropy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    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
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

CF₃^- +  =

By formula: CF₃^- + H⁺ = CHF₃

CN^- +  = (CN^- • )

By formula: CN^- + CHF₃ = (CN^- • CHF₃)

 +  = ( • )

By formula: Cl^- + CHF₃ = (Cl^- • CHF₃)

 +  = ( • )

By formula: F^- + CHF₃ = (F^- • CHF₃)

C₈H₅^- +  = C₉H₆F₃^-

By formula: C₈H₅^- + CHF₃ = C₉H₆F₃^-

C₂H^- +  = C₃H₂F₃^-

By formula: C₂H^- + CHF₃ = C₃H₂F₃^-

C₉H₇^- +  = C₁₀H₈F₃^-

By formula: C₉H₇^- + CHF₃ = C₁₀H₈F₃^-

C₂H₅O^- +  = C₃H₆F₃O^-

By formula: C₂H₅O^- + CHF₃ = C₃H₆F₃O^-

CH₃O^- +  = C₂H₄F₃O^-

By formula: CH₃O^- + CHF₃ = C₂H₄F₃O^-

C₃H₇O^- +  = C₄H₈F₃O^-

By formula: C₃H₇O^- + CHF₃ = C₄H₈F₃O^-

C₄H₉⁺ +  = (C₄H₉⁺ • )

By formula: C₄H₉⁺ + CHF₃ = (C₄H₉⁺ • CHF₃)

C₅O₅W (g) +  (g) = C₆HF₃O₅W (g)

By formula: C₅O₅W (g) + CHF₃ (g) = C₆HF₃O₅W (g)

 +  = ( • )

By formula: I^- + CHF₃ = (I^- • CHF₃)

 +  =  + 

By formula: CHF₃ + Br₂ = HBr + CBrF₃

 +  =  + 

By formula: HBr + CBrF₃ = CHF₃ + Br₂

2 =  + 

By formula: 2CHClF₂ = CHCl₂F + CHF₃

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
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

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

CF₃^- +  =

By formula: CF₃^- + H⁺ = CHF₃

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

CH₃O^- +  = C₂H₄F₃O^-

By formula: CH₃O^- + CHF₃ = C₂H₄F₃O^-

CN^- +  = (CN^- • )

By formula: CN^- + CHF₃ = (CN^- • CHF₃)

C₂H^- +  = C₃H₂F₃^-

By formula: C₂H^- + CHF₃ = C₃H₂F₃^-

C₂H₅O^- +  = C₃H₆F₃O^-

By formula: C₂H₅O^- + CHF₃ = C₃H₆F₃O^-

C₃H₇O^- +  = C₄H₈F₃O^-

By formula: C₃H₇O^- + CHF₃ = C₄H₈F₃O^-

C₄H₉⁺ +  = (C₄H₉⁺ • )

By formula: C₄H₉⁺ + CHF₃ = (C₄H₉⁺ • CHF₃)

C₈H₅^- +  = C₉H₆F₃^-

By formula: C₈H₅^- + CHF₃ = C₉H₆F₃^-

C₉H₇^- +  = C₁₀H₈F₃^-

By formula: C₉H₇^- + CHF₃ = C₁₀H₈F₃^-

 +  = ( • )

By formula: Cl^- + CHF₃ = (Cl^- • CHF₃)

 +  = ( • )

By formula: F^- + CHF₃ = (F^- • CHF₃)

 +  = ( • )

By formula: I^- + CHF₃ = (I^- • CHF₃)

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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Additional Data

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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Additional Data

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C_3ν     Symmetry Number σ = 3

Source: Shimanouchi, 1972

Notes

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

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, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, Notes

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

Chase, 1998
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Goy, Lord, et al., 1967
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Neugebauer, C.A.; Margrave, J.L., Heats of formation of the fluoromethanes and fluoroethylenes, Tech. Rept., 1957, 1-45. [all data]

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Valentine, Brodale, et al., 1962
Valentine, R.H.; Brodale, G.E.; Giauque, W.F., Trifluoromethane: entropy, low temperature heat capacity, heats of fusion and vaporization, and vapor pressure, J. Phys. Chem., 1962, 66, 392-395. [all data]

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Streng, 1971
Streng, A.G., Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature, J. Chem. Eng. Data, 1971, 16, 357. [all data]

Croll and Scott, 1964
Croll, I.M.; Scott, R.L., Fluorocarbon Solutions at Low Termperatures IV. The Liquid Mixtures CH4 + CClF3, CH2F2 + CClF3, CHF3 + CClF3, CF4 + CClF3, C2H6 + CClF3, C2H6 + CF4, and CHF3 + CF4, J. Phys. Chem., 1964, 68, 3853. [all data]

Thorp and Scott, 1956
Thorp, N.; Scott, R.L., Fluorocarbon solutions at low termperatures. I. The liquid mixtures CF4-CHF3, CF4-CH4, CF4-Kr, CH4-Kr., J. Phys. Chem., 1956, 60, 670. [all data]

Valentine, Brodale, et al., 1962, 2
Valentine, R.H.; Brodale, G.E.; Giauque, W.F., Trifluoromethane: entropy,low temp. heat capacity, heats of fusion and vaporization, and vapor pressure, J. Phys. Chem., 1962, 66, 392. [all data]

Ohgaki, Umezono, et al., 1990
Ohgaki, K.; Umezono, S.; Katayama, T., Pressure-density-temperature (p-ρ-T) relations of fluoroform, nitrous oxide, and propene in the critical region, J. Supercrit. Fluids, 1990, 3, 78-84. [all data]

Hori, Okazaki, et al., 1982
Hori, K.; Okazaki, S.; Uematsu, M.; Watanabe, K., An Experimental Study of Thermodynamic Properties of Trifluoromethane in Proc. Symp. Thermophys. Prop., 8th, 1981, Gaithersburg, Vol. II, Sengers, J. V., Ed., ASME: New York, p. 370-6, 1982. [all data]

Wagner, 1968
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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]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

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Paulino and Squires, 1991
Paulino, J.A.; Squires, R.R., Carbene Thermochemistry from Collision-Induced Dissociation Threshold Energy Measurements - The Heats of Formation of X1A1 CF2 and X1A1 CCl2, J. Am. Chem. Soc., 1991, 113, 15, 5573, https://doi.org/10.1021/ja00015a009 . [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO₂-, NO₃-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl^-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl^- = RHCl^-, Can. J. Chem., 1982, 60, 1907. [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]

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Chabinyc, M.L.; Brauman, J.I., Acidity, basicity, and the stability of hydrogen bonds: Complexes of RO-+HCF3, J. Am. Chem. Soc., 1998, 120, 42, 10863-10870, https://doi.org/10.1021/ja9817592 . [all data]

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Coomber, J.W.; Whittle, E., Bond dissociation energies from equilibrium studies. Part 1.-D(CF₃-Br), D(C₂F₅-Br) and D(n-C₃F₇-Br), Trans. Faraday Soc., 1967, 63, 608-619. [all data]

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Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

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Novak, I.; Potts, A.W.; Quinn, F.; Marr, G.V.; Dobson, B.; Hillier, I.H.; West, J.B., Photoelectron asymmetry measurements for CHF₃ and CF₄ in the photon energy range 19 to 80 eV, J. Phys. B:, 1985, 18, 1581. [all data]

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Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Zenkevich, 1996
Zenkevich, I.G., Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical Investigations, Z. Anal. Chem., 1996, 51, 11, 1140-1148. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Cp,liquid	Constant pressure heat capacity of liquid
  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  S°liquid	Entropy of liquid at standard conditions
  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
  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
  ΔvapS	Entropy of vaporization
  ρc	Critical density

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