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
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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 319.2 ± 0.6 | K | AVG | N/A | Average of 13 out of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 161. ± 3. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 161.11 | K | N/A | Brown and Manov, 1937 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 161.59 | K | N/A | Stull, 1937 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 552. | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.6 ± 0.1 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.391 | 319.4 | N/A | Majer and Svoboda, 1985 | |
6.86 | 270. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 255. to 354. K.; AC |
6.48 | 369. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 354. to 552. K.; AC |
6.81 | 275. | A | Stephenson and Malanowski, 1987 | Based on data from 260. to 353. K.; AC |
6.55 | 353. | A | Stephenson and Malanowski, 1987 | Based on data from 338. to 408. K.; AC |
6.45 | 403. | A | Stephenson and Malanowski, 1987 | Based on data from 388. to 497. K.; AC |
6.86 | 505. | A | Stephenson and Malanowski, 1987 | Based on data from 490. to 533. K.; AC |
6.86 | 270. | EB | Boublík and Aim, 1972 | Based on data from 255. to 318. K. See also Stephenson and Malanowski, 1987.; AC |
6.72 | 292. | EB | Waddington, Smith, et al., 1962 | Based on data from 277. to 353. K.; AC |
6.72 ± 0.02 | 282. | C | Waddington, Smith, et al., 1962 | AC |
6.38 ± 0.02 | 319. | C | Waddington, Smith, et al., 1962 | AC |
6.60 | 318. | N/A | Thomson, 1946 | Based on data from 303. to 358. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
282. to 319. | 8.860 | 0.2264 | 552. | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
276.74 to 353.08 | 4.06112 | 1168.62 | -31.616 | Waddington, Smith, et al., 1962 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.049 | 161.11 | Brown and Manov, 1937, 2 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.511 | 161.11 | Brown and Manov, 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
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) | 163.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 157.2 | kcal/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, 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.
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. [all data]
Stull, 1937
Stull, D.R.,
A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp.,
J. Am. Chem. Soc., 1937, 59, 2726. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]
Boublík and Aim, 1972
Boublík, T.; Aim, K.,
Heats of vaporization of simple non-spherical molecule compounds,
Collect. Czech. Chem. Commun., 1972, 37, 11, 3513-3521, https://doi.org/10.1135/cccc19723513
. [all data]
Waddington, Smith, et al., 1962
Waddington, Guy; Smith, J.C.; Williamson, K.D.; Scott, D.W.,
CARBON DISULFIDE AS A REFERENCE SUBSTANCE FOR VAPOR-FLOW CALORIMETRY; THE CHEMICAL THERMODYNAMIC PROPERTIES,
J. Phys. Chem., 1962, 66, 6, 1074-1077, https://doi.org/10.1021/j100812a025
. [all data]
Thomson, 1946
Thomson, George Wm.,
The Antoine Equation for Vapor-pressure Data.,
Chem. Rev., 1946, 38, 1, 1-39, https://doi.org/10.1021/cr60119a001
. [all data]
Brown and Manov, 1937, 2
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]
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, 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 Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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