Silane
- Formula: H4Si
- Molecular weight: 32.1173
- IUPAC Standard InChIKey: BLRPTPMANUNPDV-UHFFFAOYSA-N
- CAS Registry Number: 7803-62-5
- 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: Silicane; Silicon hydride (SiH4); Silicon tetrahydride; SiH4; Monosilane; Silicon hydride; UN 2203
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Gas 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 8.200 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1976 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 48.913 | 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 1300. | 1300. to 6000. |
---|---|---|
A | 1.448420 | 23.86460 |
B | 33.45201 | 1.016141 |
C | -18.61490 | -0.193420 |
D | 3.881681 | 0.012772 |
E | 0.032387 | -4.873339 |
F | 6.546561 | -9.689331 |
G | 41.66709 | 63.76709 |
H | 8.200060 | 8.200060 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1976 | Data last reviewed in June, 1976 |
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.
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 |
---|---|---|---|---|---|
93.8 to 161.7 | 4.21657 | 703.987 | 5.352 | 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 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
H3Si- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 373.9 ± 2.1 | kcal/mol | G+TS | Gal, Decouzon, et al., 2001 | gas phase |
ΔrH° | 372.9 ± 2.1 | kcal/mol | G+TS | Wetzel, Salomon, et al., 1989 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 372.80 ± 0.84 | kcal/mol | D-EA | Nimlos and Ellison, 1986 | gas phase |
ΔrH° | 372.0 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrH° | 373.90 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnS-(t); ; ΔS(EA)=5.7 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.7 ± 2.0 | kcal/mol | IMRE | Gal, Decouzon, et al., 2001 | gas phase |
ΔrG° | 364.7 ± 2.0 | kcal/mol | IMRE | Wetzel, Salomon, et al., 1989 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 364.58 ± 0.94 | kcal/mol | H-TS | Nimlos and Ellison, 1986 | gas phase |
ΔrG° | 363.8 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
ΔrG° | 366.40 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnS-(t); ; ΔS(EA)=5.7 |
By formula: H- + H4Si = (H- • H4Si)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.0 ± 4.0 | kcal/mol | IMRB | Hajdasz, Ho, et al., 1994 | gas phase |
ΔrH° | 22.5 ± 4.5 | kcal/mol | IMRE | Hajdasz and Squires, 1986 | gas phase; QCISD Calculation: H-A = 20.2, 99MOC |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.6 ± 4.1 | kcal/mol | IMRB | Hajdasz, Ho, et al., 1994 | gas phase |
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
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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 | 39 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, 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 by: Takehiko Shimanouchi
Symmetry: Td Symmetry Number σ = 12
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 2187 | B | ia | 2187.0 S | gas | |||
e | 2 | Deg deform | 975 | C | 974.6 ia | gas | 978 W | gas | observed through Coriolis interaction with ν4 | |
f2 | 3 | Deg str | 2191 | A | 2190.6 | gas | ||||
f2 | 4 | Deg deform | 914 | B | 914.2 | gas | ||||
Source: Shimanouchi, 1972
Notes
S | Strong |
W | Weak |
ia | Inactive |
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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]
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]
Gal, Decouzon, et al., 2001
Gal, J.F.; Decouzon, M.; Maria, P.C.; Gonzalez, A.I.; Mo, O.; Yanez, M.; El Chaouch, S.; Guillemin, J.C.,
Acidity trends in alpha,beta-unsaturated alkanes, silanes, germanes, and stannanes,
J. Am. Chem. Soc., 2001, 123, 26, 6353-6359, https://doi.org/10.1021/ja004079j
. [all data]
Wetzel, Salomon, et al., 1989
Wetzel, D.M.; Salomon, K.E.; Berger, S.; Brauman, J.I.,
Gas-Phase Acidities of Organosilanes and Electron Affinities of Organosilyl Radicals,
J. Am. Chem. Soc., 1989, 111, 11, 3835, https://doi.org/10.1021/ja00193a013
. [all data]
Nimlos and Ellison, 1986
Nimlos, M.R.; Ellison, G.B.,
Photoelectron spectroscopy of SiH3- and SiD3-,
J. Am. Chem. Soc., 1986, 108, 6522. [all data]
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Check, Faust, et al., 2001
Check, C.E.; Faust, T.O.; Bailey, J.M.; Wright, B.J.; Gilbert, T.M.; Sunderlin, L.S.,
Addition of Polarization and Diffuse Functions to the LANL2DZ Basis Set for P-Block Elements,
J. Phys. Chem. A,, 2001, 105, 34, 8111, https://doi.org/10.1021/jp011945l
. [all data]
Hajdasz, Ho, et al., 1994
Hajdasz, D.J.; Ho, Y.; Squires, R.R.,
Gas-Phase Chemistry of Pentacoordinate Silicon Hydrides,
J. Am. Chem. Soc., 1994, 116, 23, 10751, https://doi.org/10.1021/ja00102a045
. [all data]
Hajdasz and Squires, 1986
Hajdasz, D.J.; Squires, R.R.,
Hypervalent silicon hydrides: SiH5-,
J. Am. Chem. Soc., 1986, 108, 3139. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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