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
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Vibrational and/or electronic energy levels
  • References
  • Notes
• Other data available:
  • Gas Chromatography
  • 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 (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 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 (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
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

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (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 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

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Goy, Lord, et al., 1967
Goy, C.A.; Lord, A.; Pritchard, H.O., Kinetics and thermodynamics of the reaction between iodine and fluoroform and the heat of formation of trifluoromethyl iodide, J. Phys. Chem., 1967, 71, 1086-1089. [all data]

Neugebauer and Margrave, 1957
Neugebauer, C.A.; Margrave, J.L., Heats of formation of the fluoromethanes and fluoroethylenes, Tech. Rept., 1957, 1-45. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

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]

PCR Inc., 1990
PCR Inc., Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]

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
Wagner, W., Thermodynamic properties of trifluoromethane, Kaeltetech.-Klim., 1968, 20, 238-40. [all data]

Hou and Martin, 1959
Hou, Y.-C.; Martin, J.J., Physical and Thermodynamic properties of trifluoromethane, AIChE J., 1959, 5, 125. [all data]

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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Deyerl, H.J.; Alconcel, L.S.; Continetti, R.E., Photodetachment imaging studies of the electron affinity of CF3, J. Phys. Chem. A, 2001, 105, 3, 552-557, https://doi.org/10.1021/jp003137k . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

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., Unusual ionic hydrogen bonds: Complexes of acetylides and fluoroform, J. Am. Chem. Soc., 2000, 122, 36, 8739-8745, https://doi.org/10.1021/ja000806z . [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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Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [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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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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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
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  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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