Carbon disulfide

• Formula: CS₂
• Molecular weight: 76.141
• IUPAC Standard InChI: InChI=1S/CS2/c2-1-3 Copy

  
• IUPAC Standard InChIKey: QGJOPFRUJISHPQ-UHFFFAOYSA-N Copy
• 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:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • Gas Chromatography
• Data at other public NIST sites:
  • Electron-Impact Ionization Cross Sections (on physics web site)
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
    C_p = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Condensed phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Phase change 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 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

Enthalpy of vaporization

Enthalpy of vaporization

Δ_vapH = A exp(-βT_r) (1 − T_r)^β
    Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    T_r = reduced temperature (T / T_c)

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Antoine Equation Parameters

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

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Enthalpy of fusion

Entropy of fusion

Reaction thermochemistry 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
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: Cl^- + CS₂ = (Cl^- • CS₂)

CS₂^- +  = (CS₂^- • )

By formula: CS₂^- + CS₂ = (CS₂^- • CS₂)

(CS₂^- • ) +  = (CS₂^- • 2)

By formula: (CS₂^- • CS₂) + CS₂ = (CS₂^- • 2CS₂)

S₂⁺ +  = (S₂⁺ • )

By formula: S₂⁺ + CS₂ = (S₂⁺ • CS₂)

( • 2) +  = ( • 3)

By formula: (F^- • 2CS₂) + CS₂ = (F^- • 3CS₂)

 +  = ( • )

By formula: F^- + CS₂ = (F^- • CS₂)

CS₂⁺ +  = (CS₂⁺ • )

By formula: CS₂⁺ + CS₂ = (CS₂⁺ • CS₂)

(CS₂⁺ • 2) +  = (CS₂⁺ • 3)

By formula: (CS₂⁺ • 2CS₂) + CS₂ = (CS₂⁺ • 3CS₂)

( • 3) +  = ( • 4)

By formula: (Cl^- • 3CS₂) + CS₂ = (Cl^- • 4CS₂)

CHS₂⁺ +  = (CHS₂⁺ • )

By formula: CHS₂⁺ + CS₂ = (CHS₂⁺ • CS₂)

( • 2) +  = ( • 3)

By formula: (Cl^- • 2CS₂) + CS₂ = (Cl^- • 3CS₂)

( • ) +  = ( • 2)

By formula: (Cl^- • CS₂) + CS₂ = (Cl^- • 2CS₂)

( • ) +  = ( • 2)

By formula: (F^- • CS₂) + CS₂ = (F^- • 2CS₂)

( • ) +  = ( • 2)

By formula: (I^- • CS₂) + CS₂ = (I^- • 2CS₂)

( • ) +  = ( • 2)

By formula: (Br^- • CS₂) + CS₂ = (Br^- • 2CS₂)

 +  = ( • )

By formula: I^- + CS₂ = (I^- • CS₂)

 +  = ( • )

By formula: Br^- + CS₂ = (Br^- • CS₂)

(S₂⁺ • 2) +  = (S₂⁺ • 3)

By formula: (S₂⁺ • 2CS₂) + CS₂ = (S₂⁺ • 3CS₂)

(S₂^- • ) +  = (S₂^- • 2)

By formula: (S₂^- • CS₂) + CS₂ = (S₂^- • 2CS₂)

(CS₂⁺ • ) +  = (CS₂⁺ • 2)

By formula: (CS₂⁺ • CS₂) + CS₂ = (CS₂⁺ • 2CS₂)

 +  = ( • )

By formula: CH₃⁺ + CS₂ = (CH₃⁺ • CS₂)

(CS₂^- • 3) +  = (CS₂^- • 4)

By formula: (CS₂^- • 3CS₂) + CS₂ = (CS₂^- • 4CS₂)

(CS₂^- • 4) +  = (CS₂^- • 5)

By formula: (CS₂^- • 4CS₂) + CS₂ = (CS₂^- • 5CS₂)

(CS₂^- • 2) +  = (CS₂^- • 3)

By formula: (CS₂^- • 2CS₂) + CS₂ = (CS₂^- • 3CS₂)

(S₂⁺ • ) +  = (S₂⁺ • 2)

By formula: (S₂⁺ • CS₂) + CS₂ = (S₂⁺ • 2CS₂)

(CHS₂⁺ • ) +  = (CHS₂⁺ • 2)

By formula: (CHS₂⁺ • CS₂) + CS₂ = (CHS₂⁺ • 2CS₂)

S₂^- +  = (S₂^- • )

By formula: S₂^- + CS₂ = (S₂^- • CS₂)

C₆H₆⁺ +  = (C₆H₆⁺ • )

By formula: C₆H₆⁺ + CS₂ = (C₆H₆⁺ • CS₂)

(CS₂⁺ • 3) +  = (CS₂⁺ • 4)

By formula: (CS₂⁺ • 3CS₂) + CS₂ = (CS₂⁺ • 4CS₂)

( • ) +  = ( • 2)

By formula: (Fe⁺ • CS₂) + CS₂ = (Fe⁺ • 2CS₂)

CS⁺ +  = (CS⁺ • )

By formula: CS⁺ + CS₂ = (CS⁺ • CS₂)

 +  = ( • )

By formula: S⁺ + CS₂ = (S⁺ • CS₂)

=  + 

By formula: CH₂S₃ = CS₂ + H₂S

 +  = ( • )

By formula: Fe⁺ + CS₂ = (Fe⁺ • CS₂)

 +  = ( • )

By formula: V⁺ + CS₂ = (V⁺ • CS₂)

 +  = ( • )

By formula: Mo⁺ + CS₂ = (Mo⁺ • CS₂)

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution
• LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)
  4, 4 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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

Spectrum

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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]

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. [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]

Hiraoka, Fujimaki, et al., 1993
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S., Bond Strengths of the Gas-Phase Cluster Ions X-(CS2)n (X = F, Cl, Br and I), Chem. Phys. Lett., 1993, 208, 5-6, 491, https://doi.org/10.1016/0009-2614(93)87178-6 . [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]

Hiraoka, Fujimaki, et al., 1994
Hiraoka, K.; Fujimaki, S.; Aruga, K., Frontier-controlled Structures of the Gas Phas Clusters A+/-(CS2)n, A+/- = S2+, CS2+, S2-, and CS2-, J. Phys. Chem. (1994), 1994, 98, 7, 1802-1809, https://doi.org/10.1021/j100058a014 . [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]

Bowen and Eaton, 1988
Bowen, K.H.; Eaton, J.G., Photodetachment Spectroscopy of Negative Cluster Ions, in The Structure of Small Molecules and Ions, Ed. R. Naaman, Z. Vager, Plenum NY, 1988, 1988, p.147-169. [all data]

Hiraoka, Fujimaki, et al., 1994, 2
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S., Frontier-Controlled Structures of the Gas-Phase A+-(CS2)n Clusters ,A+- = S2+, CS2+, S2-, and CS2-, J. Phys. Chem., 1994, 98, 7, 1802, https://doi.org/10.1021/j100058a014 . [all data]

Ono, Linn, et al., 1981
Ono, Y.; Linn, S.H.; Prest, H.F.; Gress, M.E.; Ng, C.Y., A Study of the High Rydberg State and Ion - Molecule Reactions of Carbon Disulfide Using the Molecular Beam Photoionization Method, J. Chem. Phys., 1981, 74, 2, 1125, https://doi.org/10.1063/1.441219 . [all data]

Meot-Ner (Mautner) and Field, 1977
Meot-Ner (Mautner), M.; Field, F.H., Proton Affinity and Ion - Molecule Clustering in CO2 and CS2. Applications in Martian Ionospheric Chemistry, J. Chem. Phys., 1977, 66, 10, 4527, https://doi.org/10.1063/1.433706 . [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]

Hiraoka, Fujimaki, et al., 1993, 2
Hiraoka, K.; Fujimaki, S.; Aruga, K., Proton-Held Dimer and Trimer of Carbon Disulfide, Chem. Phys. Lett., 1993, 202, 1-2, 167, https://doi.org/10.1016/0009-2614(93)85367-W . [all data]

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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]

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Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H., Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies, J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034 . [all data]

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Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

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Gress, M.E.; Linn, S.H.; Ono, Y.; Prest, H.F.; Ng, C.Y., A Study of the Chemiionization Process CS2*(n) + CS2 ---> CS3+ + CS + e- Using the Molecular Beam Photoionization Method, J. Chem. Phys., 1980, 72, 7, 4242, https://doi.org/10.1063/1.439656 . [all data]

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Gattow, V.G.; Krebes, B., Das kohlenstoffsulfid-di-(hydrogensulfid) SC(SH)₂ und das system H₂S-CS₂. 2. Thermochemie des SC(SH)₂, Z. Anorg. Allg. Chem., 1963, 322, 113. [all data]

Schroeder, Kretzschmar, et al., 2003
Schroeder, D.; Kretzschmar, I.; Schwarz; Armentrout, P.B., Structure, Thermochemistry, and Reactivityof MSn+ Cations (M=V,Mo; n=1-3) in the Gas Phase, Int. J. Mass Spectrom., 2003, 228, 2-3, 439, https://doi.org/10.1016/S1387-3806(03)00137-4 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  S°liquid	Entropy of liquid at standard conditions
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  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
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  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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