Carbonyl sulfide

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-33.081kcal/molReviewChase, 1998Data last reviewed in March, 1966
Δfgas-33.21 ± 0.25kcal/molEqkBechtold, 1965Reanalyzed by Cox and Pilcher, 1970, Original value = -33.93 kcal/mol; ALS
Δfgas-33.21 ± 0.25kcal/molEqkTerres and Wesemann, 1932Reanalyzed by Cox and Pilcher, 1970, Original value = -32.868 kcal/mol; ALS
Quantity Value Units Method Reference Comment
gas,1 bar55.347cal/mol*KReviewChase, 1998Data 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 (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 1200.1200. to 6000.
A 8.25500014.41740
B 10.290100.415471
C -6.361791-0.050187
D 1.5150210.003372
E -0.078278-1.225831
F -36.20939-40.30371
G 62.0965168.74890
H -33.08009-33.08009
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in March, 1966 Data last reviewed in March, 1966

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, 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 by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid32.579cal/mol*KN/AKemp and Giauque, 1937 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
17.03220.Kemp and Giauque, 1937T = 20 to 220 K.

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, 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
Ttriple134.31KN/AClusius and Weigand, 1940Uncertainty assigned by TRC = 0.2 K; see property X for dP/dT for c-l equil.; TRC
Ttriple134.33KN/AKemp and Giauque, 1937, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc378.8KN/ARobinson and Senturk, 1979Uncertainty assigned by TRC = 0.1 K; Vis in bomb with window, TE cal vs PRT,; TRC
Quantity Value Units Method Reference Comment
Pc62.66atmN/ARobinson and Senturk, 1979Uncertainty assigned by TRC = 0.05 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.1351l/molN/ARobinson and Senturk, 1979Uncertainty assigned by TRC = 0.002 l/mol; Vis in bomb with window, PP with differential pressure trans; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
4.4230222.91N/AKemp and Giauque, 1937P = 101.325 kPa; DH
4.88176.N/ADykyj, Svoboda, et al., 1999Based on data from 161. to 284. K.; AC
4.37299.N/ADykyj, Svoboda, et al., 1999Based on data from 284. to 379. K.; AC
4.66209.AStephenson and Malanowski, 1987Based on data from 140. to 224. K.; AC
4.54 ± 0.02214.N/AFrank and Clusius, 1939AC
4.66209.N/AKemp and Giauque, 1937Based on data from 162. to 224. K.; AC

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
19.84222.91Kemp and Giauque, 1937P; DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
161.8 to 223.844.0379808.49-22.72Kemp and Giauque, 1937Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.130134.33Kemp and Giauque, 1937DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
8.413134.33Kemp and Giauque, 1937DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0222100.MN/A 
0.019 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0153600.XN/AValue given here as quoted by missing citation. Solubility in sea water.
0.0213000.LN/A 
0.022 XN/AAs quoted by missing citation. Value at T = 293. K.
0.0213300.XN/AValue given here as quoted by missing citation.
0.0213300.XN/AAs quoted by missing citation.
0.033 XN/AAs quoted by missing citation. Value at T = 286.5 K.
0.0154400.XN/AAs quoted by missing citation.

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)150.2kcal/molN/AHunter and Lias, 1998at S; HL
Quantity Value Units Method Reference Comment
Gas basicity144.0kcal/molN/AHunter and Lias, 1998at S; HL
Quantity Value Units Method Reference Comment
Δf(+) ion224.kcal/molN/AN/A 
Quantity Value Units Method Reference Comment
ΔfH(+) ion,0K224.kcal/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
0.46 ± 0.20NBIECompton, Reinhardt, et al., 1975See 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
>0.39995ECDChen and Wentworth, 1983B

Ionization energy determinations

IE (eV) Method Reference Comment
11.185 ± 0.002PEWang, Reutt, et al., 1988LL
11. ± 1.EICarnovale, Hitchcock, et al., 1982LBLHLM
11.1736 ± 0.0015PIOno, Osuch, et al., 1981LLK
11.177 ± 0.002PEPotts and Fattahallah, 1980LLK
11.19 ± 0.05EIHubin-Franskin, Marmet, et al., 1980LLK
11.174 ± 0.003PEDelwiche, Hubin-Franskin, et al., 1980LLK
11.190PIFrey, Gotchev, et al., 1978LLK
11.22PENatalis, 1973LLK
11.18 ± 0.01PEFrost, Lee, et al., 1973LLK
11.3EIFerreira and Costa, 1972LLK
11.189 ± 0.005PEBrundle and Turner, 1969RDSH
11.233 ± 0.005PEBrundle and Turner, 1969RDSH
11.18 ± 0.01PIMatsunaga and Watanabe, 1967RDSH
11.18 ± 0.01SMatsunaga and Watanabe, 1967RDSH
11.22 ± 0.01PIMatsunaga and Watanabe, 1967RDSH
11.23 ± 0.01SMatsunaga and Watanabe, 1967RDSH
11.18 ± 0.01PIDibeler and Walker, 1967RDSH
11.22PIDibeler and Walker, 1967RDSH
11.19PEPotts and Williams, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+22. ± 1.?EICarnovale, Hitchcock, et al., 1982LBLHLM
CO+18. ± 1.SEICarnovale, Hitchcock, et al., 1982LBLHLM
CO+15.6S(-)?EIFerreira and Costa, 1972LLK
CS+20. ± 1.OEICarnovale, Hitchcock, et al., 1982LBLHLM
CS+18.7 ± 0.5OEIHubin-Franskin, Huard, et al., 1978LLK
CS+16.7O(-)?EIFerreira and Costa, 1972LLK
O+20. ± 1.CSEICarnovale, Hitchcock, et al., 1982LBLHLM
O+19.45 ± 0.08CS(-)EIHubin-Franskin, Huard, et al., 1978LLK
OS+19.8CEIFerreira and Costa, 1972LLK
S+14. ± 1.COEICarnovale, Hitchcock, et al., 1982LBLHLM
S+13.52 ± 0.05COEIHubin-Franskin, Huard, et al., 1978LLK
S+13.7COEIFerreira and Costa, 1972LLK
S+13.65 ± 0.03COPIDibeler and Walker, 1967RDSH

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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.

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]

Kemp and Giauque, 1937
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]

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, 2
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]

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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, References