Carbon disulfide
- Formula: CS2
- Molecular weight: 76.141
- IUPAC Standard InChIKey: QGJOPFRUJISHPQ-UHFFFAOYSA-N
- CAS Registry Number: 75-15-0
- 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: Carbon bisulfide; Carbon sulfide (CS2); Dithiocarbonic anhydride; CS2; Carbon sulfide; Carbon-disulphide-; Carbon bisulphide; Carbon sulphide; Kohlendisulfid; Koolstofdisulfide; NCI-C04591; Rcra waste number P022; Schwefelkohlenstoff; Solfuro di carbonio; Sulphocarbonic anhydride; UN 1131; Weeviltox; Wegla dwusiarczek; Alcohol of sulfur; Carbon bisulfuret; Methyl disulfide; Sulfocarbonic anhydride
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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 |
---|---|---|---|---|---|
ΔfH°gas | 116.94 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1976 |
ΔfH°gas | 117.1 ± 0.79 | kJ/mol | Ccr | Good, Lacina, et al., 1961 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -1112. | kJ/mol | Ccb | Guerin, Marthe, et al., 1949 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 237.98 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1976 |
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.
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | 298. to 1000. | 1000. to 6000. |
---|---|---|
A | 35.85391 | 61.25292 |
B | 52.49121 | 1.378826 |
C | -40.83743 | -0.140520 |
D | 12.00155 | 0.009284 |
E | -0.224831 | -3.244044 |
F | 103.5030 | 90.07106 |
G | 266.1597 | 299.4091 |
H | 116.9432 | 116.9432 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1976 | Data last reviewed in December, 1976 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 89.41 ± 0.71 | kJ/mol | Ccr | Good, Lacina, et al., 1961 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1687.2 ± 0.50 | kJ/mol | Ccr | Good, Lacina, et al., 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1682.3 ± 0.50 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 151.0 | J/mol*K | N/A | Brown and Manov, 1937 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
78.99 | 298. | Staveley, Tupman, et al., 1955 | T = 286 to 317 K.; DH |
74.89 | 294.81 | Zhdanov, 1945 | T = 7 to 31°C. Value is unsmoothed experimental datum.; DH |
77.8 | 293. | Mazur, 1939 | T = -100 to 20°C.; DH |
76.1 | 301.2 | Phillip, 1939 | DH |
76.02 | 297.43 | Brown and Manov, 1937 | T = 15 to 297 K. Value is unsmoothed experimental datum.; DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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
View reactions leading to CS2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.073 ± 0.005 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 681.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 657.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.5525 ± 0.0013 | N/A | Cavanagh, Gibson, et al., 2012 | poor Franck-Condon overlap makes previous LPES studies too bound; B |
0.580 ± 0.050 | LPES | Misaizu, Tsunoyama, et al., 2004 | Vertical Detachment Energy: 1.27±0.10 eV; B |
0.51 ± 0.10 | IMRE | Chowdhury, Heinis, et al., 1986 | ΔGea(423 K) = -12.7 kcal/mol; ΔSea (estimated) = +2.0 eu.; B |
<0.799982 | LPES | Scheidt and Weinkauf, 1997 | B |
0.000694 | N/A | Compton, Dunning, et al., 1996 | Quadrupole-bound state; B |
0.60 ± 0.10 | ECD | Chen and Wentworth, 1983 | B |
0.50 ± 0.20 | Endo | Hughes, Lifschitz, et al., 1973 | B |
1.460 ± 0.020 | LPES | Tsukuda, Hirose, et al., 1997 | EA given is Vertical Detachment Energy. Poor Franck-Condon overlap; B |
0.89 ± 0.20 | LPES | Oakes and Ellison, 1986 | The discrepancy with equilibrium has not been resolved. Poor Franck-Condon overlap.; B |
1.00 ± 0.20 | NBIE | Compton, Reinhardt, et al., 1975 | B |
0.94 ± 0.32 | IMRB | Kraus, Muller-Duysing, et al., 1961 | Between NH2-, C-; B |
Ionization energy determinations
Appearance energy determinations
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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]
Good, Lacina, et al., 1961
Good, W.D.; Lacina, J.L.; McCullough, J.P.,
Methanethiol and carbon disulfide: Heats of combustion and formation by rotating-bomb calorimetry,
J. Phys. Chem., 1961, 65, 2229-2231. [all data]
Guerin, Marthe, et al., 1949
Guerin, M.H.; Marthe, M.; Bastick, J.; Adam-Gironne, J.,
Sur la chaleur de combustion du sulfure de carbon,
Compt. Rend., 1949, 228, 87-89. [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]
Brown and Manov, 1937
Brown, O.L.I.; Manov, G.G.,
The heat capacity of carbon disulfide from 15 to 300°K. The entropy and heat of fusion of carbon disulfide,
J. Am. Chem. Soc., 1937, 59, 500-502. [all data]
Staveley, Tupman, et al., 1955
Staveley, L.A.K.; Tupman, W.I.; Hart, K.R.,
Some thermodynamice properties of the systems benzene + ethylene dichloride, benzene + carbon tetrachloride, acetone + chloroform, and acetone + carbon disulphide,
Trans. Faraday Soc., 1955, 51, 323-342. [all data]
Zhdanov, 1945
Zhdanov, A.K.,
On the thermal capacity of some pure liquids and azeotropic mixtures,
Zhur. Obshch. Khim., 1945, 15, 895-902. [all data]
Mazur, 1939
Mazur, J.,
Über die spezifische Wärme des Äthyläthers, des Nitrobenzols und des Schwefelkohlenstoffs,
Z. Physik., 1939, 113, 710-720. [all data]
Phillip, 1939
Phillip, N.M.,
Adiabatic and isothermal compressibilities of liquids,
Proc. Indian Acad. Sci., 1939, A9, 109-120. [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]
Cavanagh, Gibson, et al., 2012
Cavanagh, S.J.; Gibson, S.T.; Lewis, B.R.,
High-resolution photoelectron spectroscopy of linear - bent polyatomic photodetachment transitions: The electron affinity of CS2,
J. Chem. Phys., 2012, 137, 14, 144304, https://doi.org/10.1063/1.4757726
. [all data]
Misaizu, Tsunoyama, et al., 2004
Misaizu, F.; Tsunoyama, H.; Yasumura, Y.; Ohshimo, K.; Ohno, K.,
Photoelectron spectroscopy and density functional theory calculation of Na-n(CS2)(-) cluster negative ions for n=1 and 2,
Chem. Phys. Lett., 2004, 389, 4-6, 241-246, https://doi.org/10.1016/j.cplett.2004.03.098
. [all data]
Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P.,
Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-,
J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037
. [all data]
Scheidt and Weinkauf, 1997
Scheidt, J.; Weinkauf, R.,
Photodetachment photoelectron spectroscopy of Perylene and CS2: Two Extreme Cases.,
Chem. Phys. Lett., 1997, 274, 1-3, 18, https://doi.org/10.1016/S0009-2614(97)00648-9
. [all data]
Compton, Dunning, et al., 1996
Compton, R.N.; Dunning, F.B.; Nordlander, P.,
On the binding of Electrons to CS2: Possible Role of Quadrupole-Bound States,
Chem. Phys. Lett., 1996, 253, 1-2, 8, https://doi.org/10.1016/0009-2614(96)00243-6
. [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]
Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O.,
Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO2, S2, CS2, Cl2, Br2, I2, and C2H,
J. Chem. Phys., 1973, 59, 3162. [all data]
Tsukuda, Hirose, et al., 1997
Tsukuda, T.; Hirose, T.; Nagata, T.,
Negative-ion photoelectron spectroscopy of (CS2)(n)(-): coexistence of electronic isomers,
Chem. Phys. Lett., 1997, 279, 3-4, 179-184, https://doi.org/10.1016/S0009-2614(97)01021-X
. [all data]
Oakes and Ellison, 1986
Oakes, J.M.; Ellison, G.B.,
Photoelectron spectroscopy of radical anions,
Tetrahedron, 1986, 42, 6263. [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]
Kraus, Muller-Duysing, et al., 1961
Kraus, K.; Muller-Duysing, W.; Neuert, H.,
Uber Stosse Langsamer Negativer Ionen mit Ladungsubertragung,
Z. Naturfor., 1961, 16A, 1385. [all data]
Fischer, Lochschmidt, et al., 1993
Fischer, I.; Lochschmidt, A.; Strobel, A.; Niedner-Schatteburg, G.; Muller-Dethlefs, K.; Bondybey, V.E.,
The non-resonant two-photon zero kinetic energy photoelectron spectrum of CS2,
Chem. Phys. Lett., 1993, 202, 542. [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]
Reineck, Wannberg, et al., 1984
Reineck, I.; Wannberg, B.; Veenhuizen, H.; Nohre, C.; Maripuu, R.; Norell, K.-E.; Mattsson, L.; Karlsson, L.; Siegbahn, K.,
Inelastic scattering and satellite fine structure in the high-resolution UV photoelectron spectrum of CS2,
J. Electron Spectrosc. Relat. Phenom., 1984, 34, 235. [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]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [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]
Ono, Linn, et al., 1980
Ono, Y.; Linn, S.H.; Prest, H.F.; Gress, M.E.; Ng, C.Y.,
Molecular beam photoionization study of carbon disulfide, carbon disulfide dimer and clusters,
J. Chem. Phys., 1980, 73, 2523. [all data]
Miletic, Eres, et al., 1980
Miletic, M.; Eres, D.; Veljkovic, M.; Zmbov, K.F.,
Mass spectrometric study of the ionization and fragmentation of carbon disulphide by monoenergetic electron impact,
Int. J. Mass Spectrom. Ion Phys., 1980, 35, 231. [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]
Hubin-Franskin, Delwiche, et al., 1980
Hubin-Franskin, M.-J.; Delwiche, J.; Natalis, P.; Caprace, G.; Roy, D.,
On the photoelectron spectrum of CS2,
J. Electron Spectrosc. Relat. Phenom., 1980, 18, 295. [all data]
Trott, Blais, et al., 1979
Trott, W.M.; Blais, N.C.; Walters, E.A.,
Photoionization of carbon disulfide monomers and dimers in a supersonic molecular beam,
J. Chem. Phys., 1979, 71, 1692. [all data]
Coppens, Reynaert, et al., 1979
Coppens, P.; Reynaert, J.C.; Drowart, J.,
Mass spectrometric study of the photoionization of carbon disulphide in the wavelength interval 125-60nm,
J. Chem. Soc. Faraday Trans. 2, 1979, 75, 292. [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]
Drowart, Smets, et al., 1978
Drowart, J.; Smets, J.; Reynaert, J.C.; Coppens, P.,
Mass spectrometric study of the photoionization of inorganic gases vapours,
Adv. Mass Spectrom., 1978, 7, 647. [all data]
Hildenbrand, 1975
Hildenbrand, D.L.,
Vertical ionization potential of the CF2 radical,
Chem. Phys. Lett., 1975, 32, 30. [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]
Kroto and Suffolk, 1972
Kroto, H.W.; Suffolk, R.J.,
The photoelectron spectrum of an unstable species in the pyrolysis products of dimethyldisulphide,
Chem. Phys. Lett., 1972, 15, 545. [all data]
Hildenbrand, 1972
Hildenbrand, D.L.,
Thermochemistry of the molecules CS and CS+,
Chem. Phys. Lett., 1972, 15, 379. [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]
Momigny and Delwiche, 1968
Momigny, J.; Delwiche, J.,
Photoionisation et impact electronique dans le disulfure de carbone,
J. Chim. Phys., 1968, 65, 1213. [all data]
Eland and Danby, 1968
Eland, J.H.D.; Danby, C.J.,
Photoelectron spectra and ionic structure of carbon dioxide, carbon disulphide and sulphur dioxide,
Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 111. [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]
Tanaka, Jursa, et al., 1960
Tanaka, Y.; Jursa, A.S.; LeBlanc, F.J.,
Higher ionization potentials of linear triatomic molecules. II. CS2, COS, and N2O,
J. Chem. Phys., 1960, 32, 1205. [all data]
Price and Simpson, 1938
Price, W.C.; Simpson, D.M.,
The absorption spectra of sulphur dioxide and carbon disulphide in the vacuum ultra-violet,
Proc. Roy. Soc. (London), 1938, A165, 272. [all data]
Schweig and Thiel, 1974
Schweig, A.; Thiel, W.,
Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds,
Mol. Phys., 1974, 27, 265. [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]
Ferreira and Fronteira_e_Silva, 1970
Ferreira, M.A.A.; Fronteira_e_Silva, M.E.,
Ionizacao e dissociacao do di-sulfureto decarbono por impacto electonico,
Rev. Port. Quim., 1970, 12, 70. [all data]
Cuthbert, Farren, et al., 1968
Cuthbert, J.; Farren, J.; PrahalladaRao, B.S.; Preece, E.R.,
Sequential mass spectrometry. III. Ions and fragments from carbon dioxide anddisulphide,
J. Phys. B:, 1968, 1, 62. [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]
Hubin-Franskin, Locht, et al., 1976
Hubin-Franskin, M.-J.; Locht, R.; Katihabwa, J.,
Dissociative ionization of carbon disulphide in the gas phase. Heat of formation of the CS radical,
Chem. Phys. Lett., 1976, 37, 488. [all data]
Momigny, Mathieu, et al., 1973
Momigny, J.; Mathieu, G.; Wankenne, H.; Ferreira, M.A.A.,
Collision and non-collision induced predissociation in the appearance of S+ and CS+ ions from CS2 under electron impact,
Chem. Phys. Lett., 1973, 21, 606. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.