Sulfur dichloride
- Formula: Cl2S
- Molecular weight: 102.971
- IUPAC Standard InChIKey: FWMUJAIKEJWSSY-UHFFFAOYSA-N
- CAS Registry Number: 10545-99-0
- 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: Sulfur chloride (SCl2); Chlorine sulfide (Cl2S); Dichlorosulfane; Monosulfur dichloride; Sulfur chloride; Sulfur (II) chloride; Chloride of sulfur; Chlorine sulfide; Sulfur dichloride (SCl2); Dichloro sulfide; sulphur dichloride
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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 | -17.57 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1978 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 281.60 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1978 |
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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 800. to 6000. |
---|---|
A | 57.21411 |
B | 0.943120 |
C | -0.307046 |
D | 0.034359 |
E | -0.596605 |
F | -36.67096 |
G | 347.2134 |
H | -17.57301 |
Reference | Chase, 1998 |
Comment | Data last reviewed in June, 1978 |
Condensed 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°liquid | -49.79 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1978 |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid,1 bar | 183.68 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1978 |
Liquid 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 800. |
---|---|
A | 91.00200 |
B | -0.000001 |
C | 0.000002 |
D | -9.046310×10-7 |
E | -6.887493×10-9 |
F | -76.92242 |
G | 293.8047 |
H | -49.79002 |
Reference | Chase, 1998 |
Comment | Data last reviewed in June, 1978 |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 424. | K | N/A | Whiting, 1952 | Uncertainty assigned by TRC = 3. K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
43.8 | 280. | Dykyj, Svoboda, et al., 1999 | Based on data from 265. to 348. K.; AC |
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
+ = Cl3S-
By formula: Cl- + Cl2S = Cl3S-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 84.9 ± 7.9 | kJ/mol | CIDT | Gailbreath, Pommerening, et al., 2000 | gas phase |
Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.47 ± 0.03 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.45 ± 0.03 | PI | Kaufel, Vahl, et al., 1981 | LLK |
9.49 | PE | Colton and Rabalais, 1974 | LLK |
9.67 | PE | Solouki, Rosmus, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
ClS+ | 12.04 ± 0.05 | Cl | PI | Kaufel, Vahl, et al., 1981 | LLK |
SCl+ | 12.2 ± 0.1 | Cl | EI | Hartmann, Lebert, et al., 1974 | LLK |
S+ | 13.0 ± 0.2 | ? | EI | Hartmann, Lebert, et al., 1974 | LLK |
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 | 1237 |
Vibrational and/or electronic energy levels
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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: 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 | Sym str | 525 | D | 525 VS | gas | 514 p | liq. | ||
a1 | 2 | Bend | 208 | B | 208 p | liq. | ||||
b1 | 3 | Anti str | 535 | D | 535 | liq. | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
p | Polarized |
B | 1~3 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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]
Whiting, 1952
Whiting, G.H.,
Freezing and MElting of Some Sulfur Chlorides,
J. Appl. Chem., 1952, 2, 390. [all data]
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]
Gailbreath, Pommerening, et al., 2000
Gailbreath, B.D.; Pommerening, C.A.; Bachrach, S.M.; Sunderlin, L.S.,
Potential Energy Surface of SCl3-,
J. Phys. Chem., 2000, 104, 13, 2958, https://doi.org/10.1021/jp993671w
. [all data]
Kaufel, Vahl, et al., 1981
Kaufel, R.; Vahl, G.; Minkwitz, R.; Baumgartel, H.,
Die photoionenspektren von SCl2, S2Cl2 und S2Br2,
Z. Anorg. Allg. Chem., 1981, 481, 207. [all data]
Colton and Rabalais, 1974
Colton, R.J.; Rabalais, J.W.,
Photoelectron electronic absorption spectra of SCl2, S2Cl2, S2Br2 and (CH3)2S2,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 345. [all data]
Solouki, Rosmus, et al., 1974
Solouki, B.; Rosmus, P.; Bock, H.,
Photoelectron spectra and molecular properties. SCl2-ionization potentials and ab initio SCF calculations,
Chem. Phys. Lett., 1974, 26, 20. [all data]
Hartmann, Lebert, et al., 1974
Hartmann, O.-R.; Lebert, K.-H.; Chun, H.-U.,
Elektronenstoss- und ionenstossuntersuchungen an schwefeldichlorid und dischwefeldichlorid,
Z. Phys. Chem. (Frankfurt/Main), 1974, 92, 311. [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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid,1 bar Entropy of liquid at standard conditions (1 bar) Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions 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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