Silicon tetrafluoride
- Formula: F4Si
- Molecular weight: 104.0791
- IUPAC Standard InChIKey: ABTOQLMXBSRXSM-UHFFFAOYSA-N
- CAS Registry Number: 7783-61-1
- 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: Silane, tetrafluoro-; Silicon fluoride (SiF4); Tetrafluorosilane; SiF4; Silicon fluoride; UN 1859
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Gas phase thermochemistry data
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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -386.0 ± 0.2 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -385.980 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1976 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 67.58 ± 0.12 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 67.579 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1976 |
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 1000. | 1000. to 6000. |
---|---|---|
A | 10.27390 | 25.63870 |
B | 38.06891 | 0.112718 |
C | -36.12271 | -0.023413 |
D | 12.33420 | 0.001654 |
E | -0.102065 | -1.287970 |
F | -390.7839 | -397.3059 |
G | 69.58521 | 93.00949 |
H | -385.9799 | -385.9799 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1976 | Data last reviewed in June, 1976 |
Phase change data
Go To: Top, Gas phase thermochemistry 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 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 | 187. | K | N/A | PCR Inc., 1990 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 259. | K | N/A | Booth and Swinehart, 1935 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 36.6600 | atm | N/A | Booth and Swinehart, 1935 | Uncertainty assigned by TRC = 0.0499 atm; TRC |
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 |
---|---|---|---|---|---|
163.16 to 186.91 | 8.37195 | 1643.698 | 18.344 | Pace and Mosser, 1963 | Coefficents calculated by NIST from author's data. |
129. to 178.3 | 7.10407 | 1220.564 | -6.884 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.17 | 148. to 183. | Patnode and Papish, 1929 | AC |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, 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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 15.24 ± 0.14 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 120.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 113.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | -32.1 ± 1.7 | kcal/mol | N/A | N/A |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
117.6 ± 2.0 | Ling, Milburn, et al., 1999 | T = 298K; MM |
117.8 ± 2.0 | Ling, Milburn, et al., 1999 | T = 298K; MM |
Gas basicity at 298K
Gas basicity (review) (kcal/mol) | Reference | Comment |
---|---|---|
111.3 ± 2.0 | Ling, Milburn, et al., 1999 | T = 298K; MM |
111.5 ± 2.0 | Ling, Milburn, et al., 1999 | T = 298K; MM |
Protonation entropy at 298K
Protonation entropy (cal/mol*K) | Reference | Comment |
---|---|---|
4.9 | Ling, Milburn, et al., 1999 | T = 298K; MM |
4.9 | Ling, Milburn, et al., 1999 | T = 298K; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
15.29 ± 0.08 | END | Kickel, Fisher, et al., 1993 | LL |
15.19 | PI | Murphy and Beauchamp, 1977 | LLK |
15. ± 1. | EI | Farber and Srivastava, 1977 | LLK |
15.7 | PE | Lloyd and Roberts, 1975 | LLK |
15.81 ± 0.02 | PE | Bassett and Lloyd, 1971 | LLK |
15.92 | PE | Bull, Pullen, et al., 1970 | RDSH |
15.7 ± 0.1 | EI | McDonald, Williams, et al., 1968 | RDSH |
16.4 | PE | Bieri, Asbrink, et al., 1982 | Vertical value; LBLHLM |
16.5 | PE | Lloyd and Roberts, 1975 | Vertical value; LLK |
16.45 | PE | Fehlner and Turner, 1974 | Vertical value; LLK |
16.46 ± 0.04 | PE | Jonas, Schweitzer, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
SiF+ | 28.8 ± 0.1 | ? | EI | McDonald, Williams, et al., 1968 | RDSH |
SiF2+ | 27.4 ± 0.1 | ? | EI | McDonald, Williams, et al., 1968 | RDSH |
F3Si+ | 16.21 ± 0.18 | F | END/DER | Kickel, Fisher, et al., 1993 | LL |
SiF3+ | 16.2 ± 0.1 | F? | EI | McDonald, Williams, et al., 1968 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
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]
Booth and Swinehart, 1935
Booth, H.S.; Swinehart, C.F.,
Critical Constants and Vapor Pressure of Some Gaseous Fluorides of Group IV,
J. Am. Chem. Soc., 1935, 57, 1337. [all data]
Pace and Mosser, 1963
Pace, E.L.; Mosser, J.S.,
Thermodynamic Properties of Silicon Tetrafluoride from 15 ºK to its Triple Point. The Entropy from Molecular and Spectroscopic Data,
J. Chem. Phys., 1963, 39, 1, 154-158, https://doi.org/10.1063/1.1733993
. [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]
Patnode and Papish, 1929
Patnode, W.I.; Papish, Jacob,
The Vapor Pressure of Silicon Tetrafluoride,
J. Phys. Chem., 1929, 34, 7, 1494-1496, https://doi.org/10.1021/j150313a010
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Ling, Milburn, et al., 1999
Ling, Y.; Milburn, R.K.; Hopkinson, A.C.; Bohme, D.K.,
Experimental and theoretical studies of the proton affinity of SiF4 and the structure of SiF4H+,
J. Am. Soc. Mass Spectrom., 1999, 10, 848. [all data]
Kickel, Fisher, et al., 1993
Kickel, B.L.; Fisher, E.R.; Armentrout, P.B.,
Dissociative charge-transfer reactions of N+(3P), N2+(2g+), Ar+(2P3/2,1/2), and Kr+(2P3/2) with SiF4. Thermochemistry of SiF4+ and SiF3+,
J. Phys. Chem., 1993, 97, 10198. [all data]
Murphy and Beauchamp, 1977
Murphy, M.K.; Beauchamp, J.L.,
Photoionization mass spectrometry of the fluoromethylsilanes (CH3)n F4-nSi (n = 1-4),
J. Am. Chem. Soc., 1977, 99, 2085. [all data]
Farber and Srivastava, 1977
Farber, M.; Srivastava, R.D.,
Mass spectrometric determination of the heats of formation of the silane fluorides,
Chem. Phys. Lett., 1977, 51, 307. [all data]
Lloyd and Roberts, 1975
Lloyd, D.R.; Roberts, P.J.,
Photoelectron spectra of halides. VII. Variable temperature He(I) and He(II) studies of CF4, SiF4, and GeF4,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 325. [all data]
Bassett and Lloyd, 1971
Bassett, P.J.; Lloyd, D.R.,
Photoelectron spectra of halides. Part I. Tetrafluorides and tetrachlorides of group IVB,
J. Chem. Soc., 1971, (A), 641. [all data]
Bull, Pullen, et al., 1970
Bull, W.E.; Pullen, B.P.; Grimm, F.A.; Moddeman, W.E.; Schweitzer, G.K.; Carlson, T.A.,
High resolution photoelectron spectroscopy of carbon and silicon tetrafluorides,
Inorg. Chem., 1970, 9, 2474. [all data]
McDonald, Williams, et al., 1968
McDonald, J.D.; Williams, C.H.; Thompson, J.C.; Margrave, J.L.,
Appearance potentials, ionization potentials and heats of formation for perfluorosilanes and perfluoroborosilanes,
Advan. Chem. Ser., 1968, 72, 261. [all data]
Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W.,
30.4-nm He(II) photoelectron spectra of organic molecules,
J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [all data]
Fehlner and Turner, 1974
Fehlner, T.P.; Turner, D.W.,
The photoelectron spectrum of SiF2,
Inorg. Chem., 1974, 13, 754. [all data]
Jonas, Schweitzer, et al., 1973
Jonas, A.E.; Schweitzer, G.K.; Grimm, F.A.; Carlson, T.A.,
The photoelectron spectra of the tetrafluoro and tetramethyl compounds of the group IV elements,
J. Electron Spectrosc. Relat. Phenom., 1973, 1, 29. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure 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 ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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