Chlorotrifluoromethane
- Formula: CClF3
- Molecular weight: 104.459
- IUPAC Standard InChIKey: AFYPFACVUDMOHA-UHFFFAOYSA-N
- CAS Registry Number: 75-72-9
- 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: Monochlorotrifluoromethane; Methane, chlorotrifluoro-; Arcton 3; F 13; Freon 13; FC 13; Genetron 13; R 13; Trifluorochloromethane; Trifluoromethyl chloride; Trifluoromonochlorocarbon; CF3Cl; Halocarbon 13/ucon 13; UN 1022; CClF3; Frigen 13; Refrigerant 13; CFC-13; Chlorotrifluromethane; Halocarbon 13; Khladon 13
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -170. ± 6. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 68.200 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1969 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = 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
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 600. | 600. to 6000. |
---|---|---|
A | 2.574370 | 24.83800 |
B | 63.58470 | 0.678192 |
C | -71.30930 | -0.158832 |
D | 30.27120 | 0.012270 |
E | -0.000814 | -1.321970 |
F | -172.2260 | -180.6110 |
G | 55.25610 | 91.89969 |
H | -169.2000 | -169.2000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1969 | Data last reviewed in June, 1969 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 191.7 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 191.65 | K | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tboil | 191.8 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 191.8 | K | N/A | Croll and Scott, 1964 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 92.2 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 92. | K | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 301.8 ± 0.3 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 38.34 | atm | N/A | Weber, 1989 | Uncertainty assigned by TRC = 0.06 atm; TRC |
Pc | 38.17 | atm | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.099 atm; TRC |
Pc | 38.28 | atm | N/A | Oguchi, Tanishita, et al., 1975 | Uncertainty assigned by TRC = 0.097 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 5.733 | mol/l | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.005 mol/l; ~; TRC |
ρc | 5.53 | mol/l | N/A | Khodeeva and Gubochkin, 1977 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 5.575 | mol/l | N/A | Oguchi, Tanishita, et al., 1975 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 5.55 | mol/l | N/A | Tsiklis and Prokhorov, 1967 | Visual in pVT apparatus, Khodeeva and Lebedeva Russ. J. Phys. Chem. 1966, 40, 1668.; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.82 | 283. | A | Stephenson and Malanowski, 1987 | Based on data from 268. to 302. K.; AC |
4.06 | 170. | A | Stephenson and Malanowski, 1987 | Based on data from 133. to 185. K.; AC |
3.75 | 231. | A | Stephenson and Malanowski, 1987 | Based on data from 184. to 246. K.; AC |
3.75 | 257. | A | Stephenson and Malanowski, 1987 | Based on data from 243. to 271. K.; AC |
4.02 | 177. | A | Stephenson and Malanowski, 1987 | Based on data from 145. to 192. K. See also Kudchadker, Kudchadker, et al., 1979.; AC |
4.09 | 177. | A | Stull, 1947 | Based on data from 124. to 191. K.; AC |
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 |
---|---|---|---|---|---|
123.7 to 192.0 | 3.47028 | 522.061 | -41.473 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
192.0 to 325.9 | 3.37107 | 500.154 | -43.532 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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:
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: CH3+ + CClF3 = (CH3+ • CClF3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52.9 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
By formula: I2 + CClF3 = CF3I + ClI
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.27 ± 0.26 | kcal/mol | Eqk | Lord, Goy, et al., 1967 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 17.10 ± 0.17 kcal/mol; ALS |
By formula: BrCl + CClF3 = CBrF3 + Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.69 ± 0.15 | kcal/mol | Eqk | Coomber and Whittle, 1967 | gas phase; ALS |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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
Spectrum
Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 20034 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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]
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]
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]
Weber, 1989
Weber, L.A.,
Simple Apparatus for Vapor-Liquid Equilibrium Measurements with Data for the Binary Systems of Carbon Dioxide with n-Butane and Isobutane,
J. Chem. Eng. Data, 1989, 34, 171. [all data]
Oguchi, Tanishita, et al., 1975
Oguchi, K.; Tanishita, I.; Watanabe, K.; Yamaguchi, T.; Sasayama, A.,
Experimental Study of P-V-T Properties of Fluorocarbon Refrigerant R 13 (CClF3), (Second Report).,
Bull. JSME, 1975, 18, 126, 1456. [all data]
Khodeeva and Gubochkin, 1977
Khodeeva, S.M.; Gubochkin, I.V.,
The liquid-gas boundary curves in the vicinity of the critical points of Freon-13 and Freon-23 (trifluorochloromethane and trifluoro-methane,
Russ. J. Phys. Chem. (Engl. Transl.), 1977, 51, 998. [all data]
Tsiklis and Prokhorov, 1967
Tsiklis, D.S.; Prokhorov, V.M.,
Phase equilibria in systems containing fluorine compounds,
Zh. Fiz. Khim., 1967, 41, 2195-9. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P.,
Methyl Cation Affinities,
J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002
. [all data]
Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L.,
Photoionization mass spectrometry of trans-azomethane,
Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]
Lord, Goy, et al., 1967
Lord, A.; Goy, C.A.; Pritchard, H.O.,
The heats of formation of trifluoromethyl chloride and bromide,
J. Phys. Chem., 1967, 71, 2705-2707. [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]
Coomber and Whittle, 1967
Coomber, J.W.; Whittle, E.,
Bond dissociation energies from equilibrium studies. Part 3.-D(CF3-Cl), D(C2F5-Cl) and the enthalpy of formation of CF3Cl,
Trans. Faraday Soc., 1967, 63, 2656-2667. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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