Methane, chlorofluoro-
- Formula: CH2ClF
- Molecular weight: 68.478
- IUPAC Standard InChIKey: XWCDCDSDNJVCLO-UHFFFAOYSA-N
- CAS Registry Number: 593-70-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Chlorofluoromethane; Freon 31; CH2FCl; CFC 31; FC 31; Monochloromonofluoromethane; R 31; CH2ClF; HCFC 31; Methylene chloride fluoride; R 31 (refrigerant)
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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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -62.600 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1970 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 63.196 | 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 1200. | 1200. to 6000. |
---|---|---|
A | 1.629751 | 22.65080 |
B | 37.91470 | 1.652591 |
C | -26.32940 | -0.316927 |
D | 7.121480 | 0.021081 |
E | 0.040312 | -3.904800 |
F | -64.41781 | -78.12541 |
G | 55.19871 | 78.87070 |
H | -62.60000 | -62.60000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1970 | Data last reviewed in June, 1970 |
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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 264.0 | K | N/A | PCR Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.57 | 249. | A | Stephenson and Malanowski, 1987 | Based on data from 140. to 264. K. See also Dykyj, 1970.; AC |
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 by: John E. Bartmess
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
CHClF- + =
By formula: CHClF- + H+ = CH2ClF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 385.94 ± 0.95 | kcal/mol | G+TS | Poutsma, Paulino, et al., 1997 | gas phase; Relative to MeOH at ΔGacid=375.1 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 376.70 ± 0.30 | kcal/mol | IMRE | Poutsma, Paulino, et al., 1997 | gas phase; Relative to MeOH at ΔGacid=375.1 |
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
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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 | 231 |
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]
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]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point 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 ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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