Propane, 2-fluoro-
- Formula: C3H7F
- Molecular weight: 62.0861
- IUPAC Standard InChIKey: PRNZBCYBKGCOFI-UHFFFAOYSA-N
- CAS Registry Number: 420-26-8
- 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: Isopropyl fluoride; 2-Fluoropropane; iso-C3H7F
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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 | 263. | K | N/A | PCR Inc., 1990 | BS |
Tboil | 263.2 | K | N/A | Edgell and Parts, 1955 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 263.05 | K | N/A | Grosse, 1937 | Uncertainty assigned by TRC = 1. K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.66 | 249. | A | Stephenson and Malanowski, 1987 | Based on data from 190. to 264. K.; AC |
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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: H2 + C3H7F = C3H8 + HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20.20 ± 0.30 | kcal/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -21.11 ± 0.69 kcal/mol; %hf298_gas[kcal/mol]=-66.97±0.71; Kolesov and Kozina, 1986; ALS |
By formula: Li+ + C3H7F = (Li+ • C3H7F)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
11.08 ± 0.02 | PI | Williamson, LeBreton, et al., 1976 |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H3F+ | 11.53 ± 0.03 | CH4 | PI | Williamson, LeBreton, et al., 1976 | |
C2H4F+ | 11.75 ± 0.03 | CH3 | PI | Williamson, LeBreton, et al., 1976 | |
C3H6F+ | 11.23 ± 0.03 | H | PI | Williamson, LeBreton, et al., 1976 |
Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Li+ + C3H7F = (Li+ • C3H7F)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 35.5 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated |
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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 | 174 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Edgell and Parts, 1955
Edgell, W.F.; Parts, G.A.,
Synthesis of Alkyl and Substituted Alkyl Fluorides from p-Toluenesulfonic Acid Esters. The Preparation of p-Toluenesulfonic Acid Esters of Lower Alcohols,
J. Am. Chem. Soc., 1955, 77, 4899. [all data]
Grosse, 1937
Grosse, A.V.,
Refractive Indices at Low Temperatures,
J. Am. Chem. Soc., 1937, 59, 2739-41. [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]
Lacher, Kianpour, et al., 1956
Lacher, J.R.; Kianpour, A.; Park, J.D.,
Reaction heats of organic halogen compounds. VI. The catalytic hydrogenation of some alkyl fluorides,
J. Phys. Chem., 1956, 60, 1454-1455. [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]
Kolesov and Kozina, 1986
Kolesov, V.P.; Kozina, M.P.,
Thermochemistry of organic and organohalogen compounds,
Russ. Chem. Rev., 1986, 55, 912. [all data]
Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L.,
Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases,
J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050
. [all data]
Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
. [all data]
Williamson, LeBreton, et al., 1976
Williamson, A.D.; LeBreton, P.R.; Beauchamp, J.L.,
Photoionization mass spectrometry of 2-fluoropropane and 2,2-difluoropropane. A novel determination of the proton affinity of vinyl fluoride and 1,1-difluoroethylene,
J. Am. Chem. Soc., 1976, 98, 2705. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point 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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