Trichloromonofluoromethane
- Formula: CCl3F
- Molecular weight: 137.368
- IUPAC Standard InChIKey: CYRMSUTZVYGINF-UHFFFAOYSA-N
- CAS Registry Number: 75-69-4
- 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, trichlorofluoro-; Algofrene Type 1; Arcton 9; Chlorofluoromethane (CCl3F); Electro-CF 11; F 11B; Fluorochloroform; Fluorotrichloromethane; Freon MF; Freon 11; Frigen 11; Frigen 11A; FC 11; FC 11, Halocarbon; FKW 11; Genetron 11; Isceon 131; Isotron 11; Kaltron 11; Ledon 11; Monofluorotrichloromethane; Propellant 11; R 11; R 11, Halocarbon; Trichlorofluoromethane; CFCl3; Fluorocarbon 11; Triclorofluormethane; CCl3F; Khladon 11; F 11; Halon 11; Refrigerant 11; Daiflon S 1; Daiflon 11; Arcton 11; Frigen S 11; Refrigerant R11; Distillex DS6; Methane, fluorotrichloro-; Chladone 11; Dymel 11; F 11 (halocarbon); Fluon 11; Freon 11A; Trichloromethyl fluoride; Trichlorofluorocarbon; Genetron 11SBA; fluorotrichloromethane (Freon 11)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, 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 | 296.9 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 296.8 | K | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 162. | K | N/A | Wang, Adcock, et al., 1991 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 162.72 | K | N/A | Ott, Woodfield, et al., 1987 | Uncertainty assigned by TRC = 0.01 K; TRC |
Tfus | 162.7 | K | N/A | Guanquan, Ott, et al., 1986 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tfus | 165.4 | K | N/A | Martin, 1982 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 162.67 | K | N/A | Ott, Goates, et al., 1964 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 162.6 ± 0.4 | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 471.1 | K | N/A | Wang, Adcock, et al., 1991 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tc | 471.15 | K | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tc | 471.15 | K | N/A | Okada, Uematsu, et al., 1986 | Uncertainty assigned by TRC = 0.04 K; Tc selected from literature to correlate density meas.; TRC |
Tc | 471.15 | K | N/A | Benning and McHarness, 1940 | Uncertainty assigned by TRC = 0.4 K; by visual observation of the meniscus; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 44.08 | atm | N/A | Wang, Adcock, et al., 1991 | Uncertainty assigned by TRC = 0.12 atm; TRC |
Pc | 43.13 | atm | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.49 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.247 | l/mol | N/A | Wang, Adcock, et al., 1991 | Uncertainty assigned by TRC = 0.006 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.151 | mol/l | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.004 mol/l; ~; TRC |
ρc | 4.03 | mol/l | N/A | Okada, Uematsu, et al., 1986 | Uncertainty assigned by TRC = 0.0403 mol/l; Density measured with magnetic densimeter. Tc, Dc selected from literature to correlate density measurements. R11; TRC |
ρc | 4.03 | mol/l | N/A | Benning and McHarness, 1940 | Uncertainty assigned by TRC = 0.01 mol/l; by extrapolation of rectilinear diameter to critical temp.; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.0251 | 290.40 | N/A | Osborne, Garner, et al., 1941 | P = 80.33 kPA.; DH |
6.81 | 228. | A | Stephenson and Malanowski, 1987 | Based on data from 213. to 301. K.; AC |
6.74 | 234. | A | Stephenson and Malanowski, 1987 | Based on data from 213. to 249. K.; AC |
6.12 | 310. | A | Stephenson and Malanowski, 1987 | Based on data from 295. to 363. K.; AC |
5.90 | 372. | A | Stephenson and Malanowski, 1987 | Based on data from 357. to 429. K.; AC |
6.00 | 439. | A | Stephenson and Malanowski, 1987 | Based on data from 424. to 468. K.; AC |
6.52 | 251. | N/A | Kudchadker, Kudchadker, et al., 1979 | Based on data from 237. to 293. K.; AC |
6.48 | 276. | N/A | Osborne, Garner, et al., 1941 | Based on data from 237. to 293. K.; AC |
6.02 | 290. | C | Osborne, Garner, et al., 1941 | AC |
6.31 | 259. | N/A | Benning and McHarness, 1940, 2 | Based on data from 244. to 334. K.; AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.75 | 290.40 | Osborne, Garner, et al., 1941 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
236.48 to 293.04 | 4.02237 | 1051.836 | -35.287 | Osborne, Garner, et al., 1941 | Coefficents calculated by NIST from author's data. |
243.50 to 334.30 | 4.00876 | 1043.303 | -36.602 | Benning and McHarness, 1940, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.6476 | 162.68 | Osborne, Garner, et al., 1941 | DH |
1.6 | 162.7 | Domalski and Hearing, 1996 | AC |
1.888 | 165.4 | Martin, 1982, 2 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.13 | 162.68 | Osborne, Garner, et al., 1941 | DH |
11.4 | 165.4 | Martin, 1982, 2 | DH |
Gas phase ion energetics data
Go To: Top, Phase change data, Vibrational and/or electronic energy levels, 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:
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
B - John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.68 ± 0.13 | eV | N/A | N/A | L |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
<1.01572 | IMRB | Staneke, Groothuis, et al., 1995 | Chloride transfer to MeSH observed.; B |
1.10 ± 0.30 | NBIE | Dispert and Lacmann, 1978 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.73 ± 0.02 | PI | Kischlat and Morgner, 1985 | LBLHLM |
11.46 ± 0.02 | PI | Wang and Leroi, 1983 | LBLHLM |
11.77 ± 0.01 | PE | Chau and McDowell, 1975 | LLK |
11.77 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
11.76 ± 0.01 | PE | Jadrny, Karlsson, et al., 1977 | Vertical value; LLK |
11.85 | PE | Jochims, Lohr, et al., 1976 | Vertical value; LLK |
11.9 | PE | Doucet, Sauvageau, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Vibrational and/or electronic energy levels
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: Takehiko Shimanouchi
Symmetry: C3ν Symmetry Number σ = 3
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | CF str | 1085 | C | 1085 S | gas | 1090 VW p | gas | ||
a1 | 2 | CCl3 s-str | 535 | C | 535 M | gas | 535 VS p | gas | ||
a1 | 3 | CCl3 s-deform | 350 | C | 350 VS | gas | 349 S p | gas | ||
e | 4 | CCl3 d-deform | 847 | C | 847 VS | gas | 847 M dp | gas | ||
e | 5 | CF bend | 394 | C | 401 VW | gas | 394 S dp | gas | ||
e | 6 | CCl3 d-deform | 241 | C | 241 S dp | gas | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
VW | Very weak |
p | Polarized |
dp | Depolarized |
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Phase change data, Gas phase ion energetics data, 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.
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Altunin, Geller, et al., 1987
Altunin, V.V.; Geller, V.Z.; Kremenvskaya, E.A.; Perel'shtein, I.I.; Petrov, E.K.,
Thermophysical Properties of Freons, Methane Ser. Part 2, Vol. 9, NSRDS-USSR, Selover, T. B., Ed., Hemisphere, New York, 1987. [all data]
Wang, Adcock, et al., 1991
Wang, B.H.; Adcock, J.L.; Mathur, S.B.; Van Hook, W.A.,
Vapor pressures, liquid molar volumes, vapor non-idealities, and critical properties of some fluorinated ethers: CF3OCF2OCF3, CF3OCF2CF2H, c-CF2CF2 CF2O, CF3OCF2H, and CF3OCH3; and of CCl3F and CF2CI,
J. Chem. Thermodyn., 1991, 23, 699-710. [all data]
Ott, Woodfield, et al., 1987
Ott, J.B.; Woodfield, B.F.; Guanquan, C.; Boerio-Goates, J.; Goates, J.R.,
(Solid + Liquid) Phase Equilibriain Acetonitrile + Tetrachloromethane, + Trichloromethane, + Trichlorofluoromethane, and + 1,1,1-Trichlorotrifluoromethane,
J. Chem. Thermodyn., 1987, 19, 177. [all data]
Guanquan, Ott, et al., 1986
Guanquan, C.; Ott, J.B.; Goates, J.R.,
(Solid+liquid) phase equilibria and solid-compound formation in 1,2-dimethoxyethane+tetrachloromethane, +trichlorofluoromethane, and +trichloromethane,
J. Chem. Thermodyn., 1986, 18, 31. [all data]
Martin, 1982
Martin, C.A.,
Specific heat anomalies in some organic compounds
in Therm. Anal., Proc. Int. Conf., 7th, 2, 1982. [all data]
Ott, Goates, et al., 1964
Ott, J.B.; Goates, J.R.; Mangelson, N.F.,
Solid compound formation in the ccl(4) mixtures of p-dioxane with ccl(4), cbrcl(3), and cfcl(3): solid-liquid phase equilibria in binary and cfcl(3) systems,
J. Chem. Eng. Data, 1964, 9, 203. [all data]
Okada, Uematsu, et al., 1986
Okada, M.; Uematsu, M.; Watanabe, K.,
Orthobaric liquid densities of trichloro-fluoromethane, dichlorodi-fluoromethane, chlorodifluoromethane, 1,1,2-trichlorotrifluoroethane, 1,2-dichlorotetrafluoroethane, and of the azeotropic mixtur,
J. Chem. Thermodyn., 1986, 18, 527. [all data]
Benning and McHarness, 1940
Benning, A.F.; McHarness, R.C.,
Thermodynamic Properties of Fluorochloromethanes and -Ethanes densities and critical constants of three fluorochloromethanes and trifluorotrichloroethane,
Ind. Eng. Chem., 1940, 32, 814. [all data]
Osborne, Garner, et al., 1941
Osborne, D.W.; Garner, C.S.; Doescher, R.N.; Yost, D.M.,
The heat capacity, entropy, heats of fusion and vaporization and vapor pressure of fluorotrichloromethane,
J. Am. Chem. Soc., 1941, 63, 3496-3499. [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]
Kudchadker, Kudchadker, et al., 1979
Kudchadker, A.P.; Kudchadker, S.A.; Shukla, R.P.; Patnaik, P.R.,
Vapor pressures and boiling points of selected halomethanes,
J. Phys. Chem. Ref. Data, 1979, 8, 2, 499, https://doi.org/10.1063/1.555600
. [all data]
Benning and McHarness, 1940, 2
Benning, A.F.; McHarness, R.C.,
Thermodynamic Properties of Fluorochloromethanes and -Ethanes Vapor Pressure of Three Fluorochloromethanes and Trifluorotichloroethane,
Ind. Eng. Chem., 1940, 32, 4, 497-499, https://doi.org/10.1021/ie50364a011
. [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]
Martin, 1982, 2
Martin, C.A.,
Specific heat anomalies in some organic compounds, Therm. Anal., Proc. Int. Conf.,
7th, 1982, 2, 829-835. [all data]
Staneke, Groothuis, et al., 1995
Staneke, P.O.; Groothuis, G.; Ingemann, S.; Nibbering, N.M.M.,
Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase,
Int. J. Mass Spectrom. Ion Proc., 1995, 142, 1-2, 83, https://doi.org/10.1016/0168-1176(94)04127-S
. [all data]
Dispert and Lacmann, 1978
Dispert, H.; Lacmann, K.,
Negative ion formation in collisions between potassium and fluoro- and chloromethanes: Electron affinities and bond dissociation energies,
Int. J. Mass Spectrom. Ion Phys., 1978, 28, 49. [all data]
Kischlat and Morgner, 1985
Kischlat, W.; Morgner, H.,
Comparative study of He(23S)-penning ionization and He(I) photoionization of CF4, CCl4, and the chlorofluoromethanes by electron-ion coincidence,
J. Electron Spectrosc. Relat. Phenom., 1985, 35, 273. [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]
Chau and McDowell, 1975
Chau, F.T.; McDowell, C.A.,
Photoelectron spectra of fluorotribromomethane and fluorotrichloromethane,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 357. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Jadrny, Karlsson, et al., 1977
Jadrny, R.; Karlsson, L.; Mattsson, L.; Siegbahn, K.,
Valence electron spectra of the chlorofluoromethanes CF3Cl, CF2Cl2 and CFCl3,
Phys. Scr., 1977, 16, 235. [all data]
Jochims, Lohr, et al., 1976
Jochims, H.-W.; Lohr, W.; Baumgartel, H.,
Photoreactions of small organic molecules V. Absorption-, photoion- and resonancephotoelectron-spectra of CF3Cl, CF2Cl2, CFCl3 in the energy range 10-25 eV,
Ber. Bunsen-Ges. Phys. Chem., 1976, 80, 130. [all data]
Doucet, Sauvageau, et al., 1973
Doucet, J.; Sauvageau, P.; Sandorfy, C.,
Vacuum ultraviolet and photoelectron spectra of fluoro-chloro derivatives of methane,
J. Chem. Phys., 1973, 58, 3708. [all data]
Schenk, Oertel, et al., 1979
Schenk, H.; Oertel, H.; Baumgartel, H.,
Photoreactions of small organic molecules VII Photoionization studies on the ion-pair formation of the fluorochloromethanes CF2Cl2, CF3Cl, and CFCl3,
Ber. Bunsen-Ges. Phys. Chem., 1979, 83, 683. [all data]
Ajello, Huntress, et al., 1976
Ajello, J.M.; Huntress, W.T., Jr.; Rayermann, P.,
A photoionization mass spectrometer study of CFCl3, CF2Cl2 and CF3Cl,
J. Chem. Phys., 1976, 64, 4746. [all data]
Syrvatka, Bel'ferman, et al., 1971
Syrvatka, B.G.; Bel'ferman, A.L.; Gil'burd, M.M.; Moin, F.B.,
Determination of the dissociation energy of the double bond in some fluorochloro-substituted ethylenes and their ions by electron bombardment,
J. Org. Chem. USSR, 1971, 7, 8, In original 9. [all data]
Curran, 1961
Curran, R.K.,
Positive and negative ion formation in CCl3F,
J. Chem. Phys., 1961, 34, 2007. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization 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.
- Customer support for NIST Standard Reference Data products.