Carbonyl sulfide
- Formula: COS
- Molecular weight: 60.075
- IUPAC Standard InChI: InChI=1S/COS/c2-1-3
- IUPAC Standard InChIKey: JJWKPURADFRFRB-UHFFFAOYSA-N
- CAS Registry Number: 463-58-1
- 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: Carbon oxide sulfide; Carbon oxysulfide; COS; Oxycarbon sulfide; UN 2204; Carbon oxide sulphide; carbonyl sulphide
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -138.41 | kJ/mol | Review | Chase, 1998 | Data last reviewed in March, 1966 |
| ΔfH°gas | -139.0 ± 1.0 | kJ/mol | Eqk | Bechtold, 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = -142.0 kJ/mol; ALS |
| ΔfH°gas | -139.0 ± 1.0 | kJ/mol | Eqk | Terres and Wesemann, 1932 | Reanalyzed by Cox and Pilcher, 1970, Original value = -137.52 kJ/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 231.57 | J/mol*K | Review | Chase, 1998 | Data last reviewed in March, 1966 |
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) | 298. to 1200. | 1200. to 6000. |
|---|---|---|
| A | 34.53892 | 60.32240 |
| B | 43.05378 | 1.738332 |
| C | -26.61773 | -0.209982 |
| D | 6.338844 | 0.014110 |
| E | -0.327515 | -5.128873 |
| F | -151.5001 | -168.6307 |
| G | 259.8118 | 287.6454 |
| H | -138.4071 | -138.4071 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in March, 1966 | Data last reviewed in March, 1966 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, 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:
B - John E. Bartmess
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: F- + COS = (F- • COS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 133. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 100. | J/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 103. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
+
= (
•
)
By formula: CH3+ + COS = (CH3+ • COS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 239. | kJ/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M |
+
=
+
By formula: COS + H2O = CO2 + H2S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -33.4 ± 0.96 | kJ/mol | Eqk | Terres and Wesemann, 1932 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -35.66 kJ/mol; ALS |
=
+
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.5 ± 0.3 | kJ/mol | Eqk | Bechtold, 1965 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 30.3 kJ/mol; ALS |
By formula: (COS+ • COS) + COS = (COS+ • 2COS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.7 | kJ/mol | PI | Ono, Osuch, et al., 1981 | gas phase; M |
By formula: COS+ + COS = (COS+ • COS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 72.0 | kJ/mol | PI | Ono, Osuch, et al., 1981 | gas phase; M |
By formula: CS2+ + COS = (CS2+ • COS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 24. | kJ/mol | PI | Ono, Osuch, et al., 1981 | gas phase; M |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (100 mmHg DILUTED TO A TOTAL PRESSURE OF 600 mmHg WITH N2); DOW KBr FOREPRISM; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Squalane | 27. | 301. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 49. | 303. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 67. | 304. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 86. | 305. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax 52CB | 680. | Condurso, Verzera, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 277. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, 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]
Bechtold, 1965
Bechtold, V.E.,
Bestimmung des Standardwertes der freien Reaktionsenthalpie für die Bildung von Kohlenoxysulfid aus Kohlenmonoxyd,
Ber. Bunsenges. Phys. Chem., 1965, 69, 326-328. [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]
Terres and Wesemann, 1932
Terres, E.; Wesemann, H.,
Uber Gleichgewichtsmessungen der teilreaktionen bei der umsetzung von scnwefelkohlenstoff mit wasserdampf im temperaturgebiet von 350° bis 900° C,
Angew. Chem., 1932, 45, 795-832. [all data]
Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B.,
Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria,
J. Am. Chem. Soc., 1985, 107, 766. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [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]
Ono, Osuch, et al., 1981
Ono, Y.; Osuch, E.A.; Ng, C.Y.,
Molecular beam photoionization study of OCS, (OCS)2, (OCS)3, and OCS.CS2,
J. Chem. Phys., 1981, 74, 1645. [all data]
Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203
. [all data]
Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S.,
The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry,
Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679
. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References
- 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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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