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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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:
AC - William E. Acree, Jr., James S. Chickos
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 32.4 | 272. | Dykyj, Svoboda, et al., 1999 | Based on data from 257. - 372. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 220.3 - 348.6 | 4.34394 | 1399.91 | -26.202 | 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - 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
+ 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 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R.,
Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [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]
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, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
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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