Fluoroform
- Formula: CHF3
- Molecular weight: 70.0138
- IUPAC Standard InChIKey: XPDWGBQVDMORPB-UHFFFAOYSA-N
- 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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Phase change data
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 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 188.7 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 191.0 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tboil | 189. | K | N/A | Croll and Scott, 1964 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 189. | K | N/A | Thorp and Scott, 1956 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 110.2 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 117.97 | K | N/A | Valentine, Brodale, et al., 1962 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tfus | 113. | K | N/A | Thorp and Scott, 1956 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 117.97 | K | N/A | Valentine, Brodale, et al., 1962 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 299.1 ± 0.3 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 47.65 | atm | N/A | Ohgaki, Umezono, et al., 1990 | Uncertainty assigned by TRC = 0.25 atm; TRC |
Pc | 47.532 | atm | N/A | Hori, Okazaki, et al., 1982 | Uncertainty assigned by TRC = 0.02 atm; TRC |
Pc | 49.7000 | atm | N/A | Wagner, 1968 | Uncertainty assigned by TRC = 0.09998 atm; TRC |
Pc | 47.7288 | atm | N/A | Hou and Martin, 1959 | Uncertainty assigned by TRC = 0.0680 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 7.5 ± 0.1 | mol/l | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.9940 | 190.97 | N/A | Valentine, Brodale, et al., 1962, 2 | P = 101.325 kPa.; DH |
4.33 | 175. | A | Stephenson and Malanowski, 1987 | Based on data from 138. to 190. K.; AC |
4.02 | 213. | A | Stephenson and Malanowski, 1987 | Based on data from 198. to 298. K.; AC |
4.30 | 177. | N/A | Valentine, Brodale, et al., 1962, 2 | Based on data from 146. to 192. K.; AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.91 | 190.97 | Valentine, Brodale, et al., 1962, 2 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
145.36 to 191.19 | 4.24977 | 718.089 | -22.013 | Valentine, Brodale, et al., 1962, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.12 | 103. | Stephenson and Malanowski, 1987 | Based on data from 89. to 118. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.9699 | 117.97 | Valentine, Brodale, et al., 1962, 2 | DH |
0.970 | 118. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.222 | 117.97 | Valentine, Brodale, et al., 1962, 2 | DH |
Gas phase ion energetics data
Go To: Top, Phase change 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:
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 13.86 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 148.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 140.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
13.9 | PE | Novak, Potts, et al., 1985 | LBLHLM |
14.19 ± 0.02 | PI | Wang and Leroi, 1983 | LBLHLM |
13.86 | PE | Pullen, Carlson, et al., 1970 | RDSH |
≥13.8 | PE | Brundle, Robin, et al., 1970 | RDSH |
~13.84 | S | Stokes and Duncan, 1958 | RDSH |
15.5 | PE | Bock, Wittmann, et al., 1982 | Vertical value; LBLHLM |
14.8 | PE | Bieri, Asbrink, et al., 1981 | Vertical value; LLK |
14.8 ± 0.05 | PE | Demuth, 1977 | Vertical value; LLK |
14.80 | EI | Harshbarger, Robin, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CF+ | 20.9 | HF+F | EI | Goto, Nakamura, et al., 1994 | LL |
CF+ | 20.2 ± 0.4 | ? | EI | Hobrock and Kiser, 1964 | RDSH |
CF2+ | 17.6 | HF | EI | Goto, Nakamura, et al., 1994 | LL |
CF2+ | 14.7 ± 0.4 | ? | EI | Steele, 1964 | RDSH |
CF3+ | 15.2 | H | EI | Goto, Nakamura, et al., 1994 | LL |
CF3+ | 14.14 | H | PI | Noutary, 1968 | RDSH |
CF3+ | 14.03 ± 0.06 | H | EI | Martin, Lampe, et al., 1966 | RDSH |
CH+ | 33.5 | F2+F | EI | Goto, Nakamura, et al., 1994 | LL |
CHF+ | 19.8 | F2 | EI | Goto, Nakamura, et al., 1994 | LL |
CHF2+ | 16.8 | F | EI | Goto, Nakamura, et al., 1994 | LL |
CHF2+ | 15.75 | F | EI | Lifshitz and Long, 1965 | RDSH |
CHF2+ | 16.4 ± 0.3 | F | EI | Hobrock and Kiser, 1964 | RDSH |
F+ | 37.0 | ? | EI | Goto, Nakamura, et al., 1994 | LL |
De-protonation reactions
CF3- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 378.0 ± 1.4 | kcal/mol | D-EA | Deyerl, Alconcel, et al., 2001 | gas phase; Adiabatic EA, from vibrational structure of spectrum; B |
ΔrH° | 377.0 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give ΔHacid=379.9, ΔGacid=372.0; value altered from reference due to change in acidity scale; B |
ΔrH° | 376.0 ± 4.5 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 370.3 ± 1.5 | kcal/mol | H-TS | Deyerl, Alconcel, et al., 2001 | gas phase; Adiabatic EA, from vibrational structure of spectrum; B |
ΔrG° | 369.2 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give ΔHacid=379.9, ΔGacid=372.0; value altered from reference due to change in acidity scale; B |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, 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
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 202. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 202. | Zenkevich, 1996 | Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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
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]
Valentine, Brodale, et al., 1962, 2
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]
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]
Hunter and Lias, 1998
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]
Novak, Potts, et al., 1985
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]
Wang and Leroi, 1983
Wang, F.C.-Y.; Leroi, G.E.,
Photoionization and fragmentation of halogenated methanes,
Ann. Isr. Phys. Soc., 1983, 6, 210. [all data]
Pullen, Carlson, et al., 1970
Pullen, B.P.; Carlson, T.A.; Moddeman, W.E.; Schweitzer, G.K.; Bull, W.E.,
Photoelectron spectra of methane, silane, germane, methyl fluoride, difluoromethane, and trifluoromethane,
J. Chem. Phys., 1970, 53, 768. [all data]
Brundle, Robin, et al., 1970
Brundle, C.R.; Robin, M.B.; Basch, H.,
Electronic energies and electronic structures of the fluoromethanes,
J. Chem. Phys., 1970, 53, 2196. [all data]
Stokes and Duncan, 1958
Stokes, S.; Duncan, A.B.F.,
Electronic transitions in methyl fluoride and in fluoroform,
J. Am. Chem. Soc., 1958, 80, 6177. [all data]
Bock, Wittmann, et al., 1982
Bock, H.; Wittmann, J.; Mintzer, J.; Russow, J.,
Ni/Pd-katalysierte gasphasen-bromierung von trifluormethan,
Chem. Ber., 1982, 115, 2346. [all data]
Bieri, Asbrink, et al., 1981
Bieri, G.; Asbrink, L.; Von Niessen, W.,
30.4 nm He(II) photoelectron spectra of organic molecules. Part IV. Fluoro-compounds (C,H,F),
J. Electron Spectrosc. Relat. Phenom., 1981, 23, 281. [all data]
Demuth, 1977
Demuth, R.,
Photoelektronenspektren von einigen Trihalogensilylphosphanen und -arsanen X3SiER2 (X = F, Cl; E = N, P, As; R = H, CH3),
Z. Naturforsch. B:, 1977, 32, 1252. [all data]
Harshbarger, Robin, et al., 1973
Harshbarger, W.R.; Robin, M.B.; Lassettre, E.N.,
The electron impact spectra of the fluoromethanes,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 319. [all data]
Goto, Nakamura, et al., 1994
Goto, M.; Nakamura, K.; Toyoda, H.; Sugai, H.,
Cross section measurements for electron-impact dissociation of CHF3 into neutral and ionic fragments,
Jpn. J. Appl. Phys. Part 1, 1994, 33, 3602. [all data]
Hobrock and Kiser, 1964
Hobrock, D.L.; Kiser, R.W.,
Electron impact studies of some trihalomethanes: trichloromethane, dichlorofluoro-methane, chlorodifluoromethane, and trifluoromethane,
J. Phys. Chem., 1964, 68, 575. [all data]
Steele, 1964
Steele, W.C.,
Appearance potentials of the difluoromethylene positive ion,
J. Phys. Chem., 1964, 68, 2359. [all data]
Noutary, 1968
Noutary, C.J.,
Mass spectrometric study of some fluorocarbons and trifluoromethyl halides,
J.Res. NBS, 1968, 72A, 479. [all data]
Martin, Lampe, et al., 1966
Martin, R.H.; Lampe, F.W.; Taft, R.W.,
An electron-impact study of ionization and dissociation in methoxy- and halogen- substituted methanes,
J. Am. Chem. Soc., 1966, 88, 1353. [all data]
Lifshitz and Long, 1965
Lifshitz, C.; Long, F.A.,
Appearance potentials and mass spectra of fluorinated ethylenes. II. Heats offormation of fluorinated species and their positive ions,
J. Phys. Chem., 1965, 69, 3731. [all data]
Deyerl, Alconcel, et al., 2001
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]
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
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy 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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