sulphuryl dichloride
- Formula: Cl2O2S
- Molecular weight: 134.970
- IUPAC Standard InChI: InChI=1S/Cl2O2S/c1-5(2,3)4
- IUPAC Standard InChIKey: YBBRCQOCSYXUOC-UHFFFAOYSA-N
- CAS Registry Number: 7791-25-5
- 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: Sulfuryl chloride
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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 | -84.799 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1971 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 74.352 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1971 |
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 1100. | 1100. to 6000. |
|---|---|---|
| A | 14.27670 | 25.58650 |
| B | 24.55361 | 0.137432 |
| C | -20.54860 | -0.027726 |
| D | 6.253681 | 0.001916 |
| E | -0.134496 | -1.308571 |
| F | -90.43021 | -95.98251 |
| G | 84.41090 | 100.0640 |
| H | -84.80000 | -84.80000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1971 | Data last reviewed in June, 1971 |
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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
+
= (
•
)
By formula: CH3+ + Cl2O2S = (CH3+ • Cl2O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 62.1 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
+ 2
= 4
+
By formula: C8H20N2O2S + 2C4H12ClN = 4C4H11N + Cl2O2S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 130.0 ± 1.7 | kcal/mol | Cm | Claydon and Mortimer, 1962 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 129.8 ± 1.7 kcal/mol; ALS |
References
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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]
McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P.,
Methyl Cation Affinities,
J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002
. [all data]
Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L.,
Photoionization mass spectrometry of trans-azomethane,
Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [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]
Notes
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- 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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