Dichlorosilane
- Formula: Cl2H2Si
- Molecular weight: 101.007
- IUPAC Standard InChI: InChI=1S/Cl2H2Si/c1-3-2/h3H2
- IUPAC Standard InChIKey: MROCJMGDEKINLD-UHFFFAOYSA-N
- CAS Registry Number: 4109-96-0
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Phase change data, Vibrational and/or electronic energy levels, 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 | -76.599 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 68.528 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 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. - 1500. | 1500. - 6000. |
|---|---|---|
| A | 11.97520 | 25.04309 |
| B | 20.16000 | 0.386661 |
| C | -11.95130 | -0.070440 |
| D | 2.638911 | 0.004488 |
| E | -0.190528 | -3.035660 |
| F | -81.60569 | -90.89039 |
| G | 76.44630 | 89.77371 |
| H | -76.60000 | -76.60000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1976 | Data last reviewed in December, 1976 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Vibrational and/or electronic energy levels, 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
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 281.3 | 1.00 | PCR Inc., 1990 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 5.3 ± 0.2 | 290. - 350. | Vorotyntsev, Balabanov, et al., 1986 | AC |
Vibrational and/or electronic energy levels
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 compiled by: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | SiH2 s-str | 2224 | C | 2224 S | gas | 2221 S p | liq. | ||
| a1 | 2 | SiH2 scis | 954 | C | 954 S | gas | 942 W dp | liq. | ||
| a1 | 3 | SiCl2 s-str | 527 | C | 527 W | gas | 514 S p | liq. | ||
| a1 | 4 | SiCl2 scis | 188 | D | 188 M dp | liq. | ||||
| a2 | 5 | SiH2 twist | 710 | D | ia | 710 W dp | liq. | |||
| b1 | 6 | SiH2 a-str | 2237 | B | 2237 S | gas | ||||
| b1 | 7 | SiH2 rock | 602 | C | 602 W | gas | ||||
| b2 | 8 | SiH2 wag | 876 | B | 876 VS | gas | 868 VW dp | liq. | ||
| b2 | 9 | SiCl2 a-str | 590 | C | 590 S | gas | 566 VW dp | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, 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]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [all data]
Vorotyntsev, Balabanov, et al., 1986
Vorotyntsev, V.M.; Balabanov, V.V.; Shamrakov, D.A.,
Zh. Fiz. Khim., 1986, 60, 234. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, 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 ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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