Thionyl chloride
- Formula: Cl2OS
- Molecular weight: 118.970
- IUPAC Standard InChI: InChI=1S/Cl2OS/c1-4(2)3
- IUPAC Standard InChIKey: FYSNRJHAOHDILO-UHFFFAOYSA-N
- CAS Registry Number: 7719-09-7
- 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: Sulfinyl chloride; Sulfur chloride oxide (Cl2SO); Sulfurous dichloride; Sulfurous oxychloride; Thionyl dichloride; SOCl2; Sulfur chloride oxide; UN 1836; Sulfinyl dichloride; Sulfur oxychloride; Sulfur oxychloride (SOCl2); Thionyl chloride (SOCl2)
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Reaction thermochemistry data
Go To: Top, IR Spectrum, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess
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Individual Reactions
+ 2
= 4
+
By formula: C8H20N2OS + 2C4H12ClN = 4C4H11N + Cl2OS
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 379.5 ± 4.2 | kJ/mol | Cm | Claydon and Mortimer, 1962 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 393. ± 4.2 kJ/mol; ALS |
+
= Cl3OS-
By formula: Cl- + Cl2OS = Cl3OS-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 85.4 ± 7.5 | kJ/mol | CIDT | Bachrach, Hayes, et al., 2001 | gas phase; B |
IR Spectrum
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Reaction thermochemistry data, IR Spectrum, 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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| 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. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1994 |
| NIST MS number | 134164 |
References
Go To: Top, Reaction thermochemistry data, IR Spectrum, 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.
Claydon and Mortimer, 1962
Claydon, A.P.; Mortimer, C.T.,
Heats of formation and bond energies. Part VIII. Diethylaminotrimethylsilane, NN'-dithiodiethylamine, NN'-thionylbisdiethylamine, and NN'-sulphurylbisdiethylamine,
J. Chem. Soc., 1962, 3212-3216. [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]
Bachrach, Hayes, et al., 2001
Bachrach, S.M.; Hayes, J.M.; Check, C.E.; Sunderlin, L.S.,
Potential energy surface of SOCl3-,
J. Phys. Chem. A, 2001, 105, 41, 9595-9597, https://doi.org/10.1021/jp012412f
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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