Fluorodichloromethane
- Formula: CHCl2F
- Molecular weight: 102.923
- IUPAC Standard InChIKey: UMNKXPULIDJLSU-UHFFFAOYSA-N
- CAS Registry Number: 75-43-4
- 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, dichlorofluoro-; Algofrene Type 5; Arcton 7; Dichlorofluoromethane; Dichloromonofluoromethane; F 21; Freon F 21; Freon 21; FC 21; Genetron 21; Monofluorodichloromethane; CHFCl2; R 21; Dwuchlorofluorometan; UN 1029; CHCl2F; Refrigerant 21; Halon 112; Fluorocarbon-21; R 21 (refrigerant)
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Gas phase thermochemistry data
Go To: Top, Condensed 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -67.701 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 70.088 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1970 |
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 1100. | 1100. to 6000. |
---|---|---|
A | 6.934991 | 23.97170 |
B | 35.81350 | 0.994877 |
C | -29.11891 | -0.195263 |
D | 8.926599 | 0.013232 |
E | -0.061180 | -2.363910 |
F | -71.32569 | -80.66511 |
G | 68.67510 | 90.85500 |
H | -67.70010 | -67.70010 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1970 | Data last reviewed in June, 1970 |
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
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
26.91 | 298.15 | Benning, McHarness, et al., 1940 | T = 261 to 338 K. Data calculated from equation. |
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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 282.0 | K | N/A | PCR Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 451.65 | K | N/A | Benning and McHarness, 1940 | Uncertainty assigned by TRC = 0.4 K; visual observation of the meniscus; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 5.07 | mol/l | N/A | Benning and McHarness, 1940 | Uncertainty assigned by TRC = 0.02 mol/l; by extrapolation of rectilinear diameter to critical temp.; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.24 | 267. | A | Stephenson and Malanowski, 1987 | Based on data from 225. to 282. K.; AC |
6.05 | 294. | A | Stephenson and Malanowski, 1987 | Based on data from 279. to 344. K.; AC |
5.78 | 356. | A | Stephenson and Malanowski, 1987 | Based on data from 341. to 399. K.; AC |
5.76 | 412. | A | Stephenson and Malanowski, 1987 | Based on data from 397. to 450. K.; AC |
6.26 | 267. | N/A | Stull, 1947 | Based on data from 181. to 282. K.; AC |
8.77 | 259. | N/A | Benning and McHarness, 1940, 2 | Based on data from 244. to 317. 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 |
---|---|---|---|---|---|
181.8 to 282.1 | 4.09494 | 996.267 | -38.978 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
282.1 to 450.7 | 4.29150 | 1105.42 | -24.479 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
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
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
CCl2F- + =
By formula: CCl2F- + H+ = CHCl2F
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 359.37 | kcal/mol | Acid | Poutsma, Paulino, et al., 1997 | gas phase; B |
ΔrH° | 360.2 ± 2.1 | kcal/mol | G+TS | Poutsma, Paulino, et al., 1997 | gas phase; B |
ΔrH° | <359.9 ± 4.7 | kcal/mol | D-EA | Illenberger, Baumgartel, et al., 1979 | gas phase; From CF2Cl2; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 351.62 ± 0.60 | kcal/mol | H-TS | Poutsma, Paulino, et al., 1997 | gas phase; B |
ΔrG° | 352.5 ± 2.0 | kcal/mol | IMRB | Poutsma, Paulino, et al., 1997 | gas phase; B |
By formula: CN- + CHCl2F = (CN- • CHCl2F)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.8 ± 3.5 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.7 | cal/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.4 ± 2.3 | kcal/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: Cl- + CHCl2F = (Cl- • CHCl2F)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.6 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
By formula: 2CHCl2F = CHCl3 + CHClF2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.39 ± 0.48 | kcal/mol | Eqk | Hess and Kemnitz, 1992 | gas phase; Gas Phase; ALS |
By formula: 2CHClF2 = CHCl2F + CHF3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3.39 ± 0.48 | kcal/mol | Eqk | Hess and Kemnitz, 1992 | gas phase; ALS |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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]
Benning, McHarness, et al., 1940
Benning, A.F.; McHarness, R.C.; Markwood, W.H., Jr.; Smith, W.J.,
Thermodynamic properties of fluorochloromethanes and -ethanes. Heat capacity of the liquid and vapor of three fluorochloromethanes and trifluorotrichloroethane,
Ind. and Eng. Chem., 1940, 32, 976-980. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]
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]
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]
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]
Poutsma, Paulino, et al., 1997
Poutsma, J.C.; Paulino, J.A.; Squires, R.R.,
Absolute Heats of Formation of CHCl, CHF, and CClF. A Gas-Phase Experimental and G2 Theoretical Study.,
J. Phys. Chem. A, 1997, 101, 29, 5327, https://doi.org/10.1021/jp970778f
. [all data]
Illenberger, Baumgartel, et al., 1979
Illenberger, T.; Baumgartel, H.; Scheunemann, H.,
Negative Ion Formation in CF2Cl2, CF3Cl, and CFCl3 Following Low Energy (0-10eV) Impact with Near Monoenergetic Electrons,
Chem. Phys., 1979, 37, 1, 21, https://doi.org/10.1016/0301-0104(79)80003-8
. [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]
Hess and Kemnitz, 1992
Hess, A.; Kemnitz, E.,
Heterogeneously catalyzed dismutation and conmutation reactions of CHCl3-nFnchlorofluorocarbons. A kinetic study,
Appl. Catal. A:, 1992, 82, 247-257. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy 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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