Carbonyl sulfide
- Formula: COS
- Molecular weight: 60.075
- 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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Phase change data
Go To: Top, Gas phase ion energetics data, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 134.31 | K | N/A | Clusius and Weigand, 1940 | Uncertainty assigned by TRC = 0.2 K; see property X for dP/dT for c-l equil.; TRC |
Ttriple | 134.33 | K | N/A | Kemp and Giauque, 1937 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 378.8 | K | N/A | Robinson and Senturk, 1979 | Uncertainty assigned by TRC = 0.1 K; Vis in bomb with window, TE cal vs PRT,; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 63.49 | bar | N/A | Robinson and Senturk, 1979 | Uncertainty assigned by TRC = 0.05 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.1351 | l/mol | N/A | Robinson and Senturk, 1979 | Uncertainty assigned by TRC = 0.002 l/mol; Vis in bomb with window, PP with differential pressure trans; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.506 | 222.91 | N/A | Kemp and Giauque, 1937, 2 | P = 101.325 kPa; DH |
20.4 | 176. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 161. to 284. K.; AC |
18.3 | 299. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 284. to 379. K.; AC |
19.5 | 209. | A | Stephenson and Malanowski, 1987 | Based on data from 140. to 224. K.; AC |
19.0 ± 0.1 | 214. | N/A | Frank and Clusius, 1939 | AC |
19.5 | 209. | N/A | Kemp and Giauque, 1937, 2 | Based on data from 162. to 224. K.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
83.02 | 222.91 | Kemp and Giauque, 1937, 2 | P; DH |
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 |
---|---|---|---|---|---|
161.8 to 223.84 | 4.0436 | 808.49 | -22.72 | Kemp and Giauque, 1937, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.728 | 134.33 | Kemp and Giauque, 1937, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
35.20 | 134.33 | Kemp and Giauque, 1937, 2 | DH |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 11.18 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 628.5 | kJ/mol | N/A | Hunter and Lias, 1998 | at S; HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 602.6 | kJ/mol | N/A | Hunter and Lias, 1998 | at S; HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 937. | kJ/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 937. | kJ/mol | N/A | N/A |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.46 ± 0.20 | NBIE | Compton, Reinhardt, et al., 1975 | See Surber, Ananthavel, et al., 2002, for a claim that EA<0; G3MP2B3 calculations indicate an EA of ca. -0.05 eV, unbound. At the bent geometry of the anion, G3MP2B3 EDE(vert)=0.35 eV bound. The experiment appears to be the vertical EA.; B |
>0.39995 | ECD | Chen and Wentworth, 1983 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
11.185 ± 0.002 | PE | Wang, Reutt, et al., 1988 | LL |
11. ± 1. | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
11.1736 ± 0.0015 | PI | Ono, Osuch, et al., 1981 | LLK |
11.177 ± 0.002 | PE | Potts and Fattahallah, 1980 | LLK |
11.19 ± 0.05 | EI | Hubin-Franskin, Marmet, et al., 1980 | LLK |
11.174 ± 0.003 | PE | Delwiche, Hubin-Franskin, et al., 1980 | LLK |
11.190 | PI | Frey, Gotchev, et al., 1978 | LLK |
11.22 | PE | Natalis, 1973 | LLK |
11.18 ± 0.01 | PE | Frost, Lee, et al., 1973 | LLK |
11.3 | EI | Ferreira and Costa, 1972 | LLK |
11.189 ± 0.005 | PE | Brundle and Turner, 1969 | RDSH |
11.233 ± 0.005 | PE | Brundle and Turner, 1969 | RDSH |
11.18 ± 0.01 | PI | Matsunaga and Watanabe, 1967 | RDSH |
11.18 ± 0.01 | S | Matsunaga and Watanabe, 1967 | RDSH |
11.22 ± 0.01 | PI | Matsunaga and Watanabe, 1967 | RDSH |
11.23 ± 0.01 | S | Matsunaga and Watanabe, 1967 | RDSH |
11.18 ± 0.01 | PI | Dibeler and Walker, 1967 | RDSH |
11.22 | PI | Dibeler and Walker, 1967 | RDSH |
11.19 | PE | Potts and Williams, 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 22. ± 1. | ? | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
CO+ | 18. ± 1. | S | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
CO+ | 15.6 | S(-)? | EI | Ferreira and Costa, 1972 | LLK |
CS+ | 20. ± 1. | O | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
CS+ | 18.7 ± 0.5 | O | EI | Hubin-Franskin, Huard, et al., 1978 | LLK |
CS+ | 16.7 | O(-)? | EI | Ferreira and Costa, 1972 | LLK |
O+ | 20. ± 1. | CS | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
O+ | 19.45 ± 0.08 | CS(-) | EI | Hubin-Franskin, Huard, et al., 1978 | LLK |
OS+ | 19.8 | C | EI | Ferreira and Costa, 1972 | LLK |
S+ | 14. ± 1. | CO | EI | Carnovale, Hitchcock, et al., 1982 | LBLHLM |
S+ | 13.52 ± 0.05 | CO | EI | Hubin-Franskin, Huard, et al., 1978 | LLK |
S+ | 13.7 | CO | EI | Ferreira and Costa, 1972 | LLK |
S+ | 13.65 ± 0.03 | CO | PI | Dibeler and Walker, 1967 | RDSH |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Clusius and Weigand, 1940
Clusius, K.; Weigand, K.,
Melting Curves of the Gases A, Kr, Xe, CH4, CH3D, CD4, C2H4, C2H6, COS, and PH3 to 200 Atmospheres Pressure. The Chane of Volume on Melting,
Z. Phys. Chem., Abt. B, 1940, 46, 1-37. [all data]
Kemp and Giauque, 1937
Kemp, J.D.; Giauque, W.F.,
Carbonyl Sulfide. The Heat Capacity, Vapor Pressure and Heats of Fusion ad Vaporization. The Third Law of Thermodynamics and Orientation Equilibrium in the Solid,
J. Am. Chem. Soc., 1937, 59, 79. [all data]
Robinson and Senturk, 1979
Robinson, D.B.; Senturk, N.H.,
The vapor pressure and critical properties of carbonyl sulfide,
J. Chem. Thermodyn., 1979, 11, 461. [all data]
Kemp and Giauque, 1937, 2
Kemp, J.D.; Giauque, W.F.,
Carbonyl sulfide. The heat capacity, vapor pressure, and heats of fusion and vaporization. The third law of thermodynamics and orientation equilibrium in the solid,
J. Am. Chem. Soc., 1937, 59, 79-84. [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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Frank and Clusius, 1939
Frank, A.; Clusius, K.,
Z. Phys. Chem. Abt. B, 1939, 42, 395. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Compton, Reinhardt, et al., 1975
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D.,
Collisional ionization of Na, K, and Cs by CO2, COS, and CS2: Molecular electron affinities,
J. Chem. Phys., 1975, 63, 3821. [all data]
Surber, Ananthavel, et al., 2002
Surber, E.; Ananthavel, S.P.; Sanov, A.,
Nonexistent electron affinity of OCS and the stabilization of carbonyl sulfide anions by gas phase hydration,
J. Chem. Phys., 2002, 116, 5, 1920-1929, https://doi.org/10.1063/1.1433001
. [all data]
Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E.,
Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state,
J. Phys. Chem., 1983, 87, 45. [all data]
Wang, Reutt, et al., 1988
Wang, L.; Reutt, J.E.; Lee, Y.T.; Shirley, D.A.,
High resolution UV photoelectron spectroscopy of CO2, COS, and CS2 using supersonic molecular beams,
J. Electron Spectrosc. Relat. Phenom., 1988, 47, 167. [all data]
Carnovale, Hitchcock, et al., 1982
Carnovale, F.; Hitchcock, A.P.; Cook, J.P.D.; Brion, C.E.,
Absolute dipole oscillator strengths for molecular and dissociative photoionization of Cos(10 - 50eV) and CS2(10 - 40eV),
Chem. Phys., 1982, 66, 249. [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]
Potts and Fattahallah, 1980
Potts, A.W.; Fattahallah, G.H.,
High-resolution ultraviolet photoelectron spectroscopy of CO2, COS and CS2,
J. Phys. B:, 1980, 13, 2545. [all data]
Hubin-Franskin, Marmet, et al., 1980
Hubin-Franskin, M.-J.; Marmet, P.; Huard, D.,
Excitation and ionization of OCS and CS2 by electron impact,
Int. J. Mass Spectrom. Ion Phys., 1980, 33, 311. [all data]
Delwiche, Hubin-Franskin, et al., 1980
Delwiche, J.; Hubin-Franskin, M.-J.; Caprace, G.; Natalis, P.; Roy, D.,
On the He(I) and Ne(I) photoelectron spectra of OCS,
J. Electron Spectrosc. Relat. Phenom., 1980, 21, 205. [all data]
Frey, Gotchev, et al., 1978
Frey, R.; Gotchev, B.; Peatman, W.B.; Pollak, H.; Schlag, E.W.,
Photoionization resonance study of the X(2π), A(2π), B(2Σ+) and C(2Σ+) states of CS2+ and COS+,
Int. J. Mass Spectrom. Ion Phys., 1978, 26, 137. [all data]
Natalis, 1973
Natalis, P.,
Contribution a la spectroscopie photoelectronique. Effets de l'autoionisation dans less spectres photoelectroniques de molecules diatomiques et triatomiques,
Acad. R. Belg. Mem. Cl. Sci. Collect. 8, 1973, 41, 1. [all data]
Frost, Lee, et al., 1973
Frost, D.C.; Lee, S.T.; McDowell, C.A.,
Photoelectron spectra of OCSe, SCSe, and CSe2,
J. Chem. Phys., 1973, 59, 5484. [all data]
Ferreira and Costa, 1972
Ferreira, M.A.A.; Costa, M.L.,
Impacto electronico no oxi-sulfureto de carbono: potenciais de aparecimento de io~es positivos, calores de formaca~o e energias de dissociaca~o,
Rev. Port. Quim., 1972, 14, 21. [all data]
Brundle and Turner, 1969
Brundle, C.R.; Turner, D.W.,
Studies on the photoionisation of the linear triatomic molecules: N2O, COS, CS2 and CO2 using high-resolution photoelectron spectroscopy,
Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 195. [all data]
Matsunaga and Watanabe, 1967
Matsunaga, F.M.; Watanabe, K.,
Ionization potential and absorption coefficient of COS,
J. Chem. Phys., 1967, 46, 4457. [all data]
Dibeler and Walker, 1967
Dibeler, V.H.; Walker, J.A.,
Mass spectrometric study of the photoionization of small polyatomic molecules,
Advan. Mass Spectrom., 1967, 4, 767. [all data]
Potts and Williams, 1974
Potts, A.W.; Williams, T.A.,
The observation of "forbidden" transitions in He II photoelectron spectra,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 3. [all data]
Hubin-Franskin, Huard, et al., 1978
Hubin-Franskin, M.J.; Huard, D.; Marmet, P.,
On the heat of formation of CS from CS2 and OCS,
Int. J. Mass Spectrom. Ion Phys., 1978, 27, 263. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure Tc Critical temperature Ttriple Triple point temperature Vc Critical volume ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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