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
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Henry's Law data
  • Ion clustering data
• 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
• Options:
  • Switch to SI units

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)

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Gas 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

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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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) (kcal/mol)
    T_r = reduced temperature (T / T_c)

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Antoine Equation Parameters

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

Gas phase ion energetics 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 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)

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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)

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

Spectrum

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Additional Data

Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Van Den Dool and Kratz RI, polar column, temperature ramp

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Van Den Dool and Kratz RI, polar column, custom temperature program

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Normal alkane RI, non-polar column, isothermal

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
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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]

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Stull, D.R., A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp., J. Am. Chem. Soc., 1937, 59, 2726. [all data]

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Bowen and Eaton, 1988
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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]

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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]

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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]

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Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  EA	Electron affinity
  IE (evaluated)	Recommended ionization energy
  S°gas,1 bar	Entropy of gas at standard conditions (1 bar)
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔcH°gas	Enthalpy of combustion of gas at standard conditions
  ΔfH°gas	Enthalpy of formation of gas 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

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