Carbon disulfide

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Gas phase thermochemistry data

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

Quantity Value Units Method Reference Comment
Δfgas27.949kcal/molReviewChase, 1998Data last reviewed in December, 1976
Δfgas27.98 ± 0.19kcal/molCcrGood, Lacina, et al., 1961ALS
Quantity Value Units Method Reference Comment
Δcgas-265.8kcal/molCcbGuerin, Marthe, et al., 1949ALS
Quantity Value Units Method Reference Comment
gas,1 bar56.879cal/mol*KReviewChase, 1998Data 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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 1000.1000. to 6000.
A 8.56929114.63980
B 12.545700.329547
C -9.760381-0.033585
D 2.8684400.002219
E -0.053736-0.775345
F 24.7378121.52750
G 63.6137071.56049
H 27.9501027.95010
ReferenceChase, 1998Chase, 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, Phase change data, Reaction thermochemistry data, Henry's Law 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid21.37 ± 0.17kcal/molCcrGood, Lacina, et al., 1961ALS
Quantity Value Units Method Reference Comment
Δcliquid-403.24 ± 0.12kcal/molCcrGood, Lacina, et al., 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -402.09 ± 0.12 kcal/mol; ALS
Quantity Value Units Method Reference Comment
liquid36.09cal/mol*KN/ABrown and Manov, 1937DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
18.88298.Staveley, Tupman, et al., 1955T = 286 to 317 K.; DH
17.90294.81Zhdanov, 1945T = 7 to 31°C. Value is unsmoothed experimental datum.; DH
18.6293.Mazur, 1939T = -100 to 20°C.; DH
18.2301.2Phillip, 1939DH
18.17297.43Brown and Manov, 1937T = 15 to 297 K. Value is unsmoothed experimental datum.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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:
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
Tboil319.2 ± 0.6KAVGN/AAverage of 13 out of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus161. ± 3.KAVGN/AAverage of 8 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple161.11KN/ABrown and Manov, 1937, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple161.59KN/AStull, 1937Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc552.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Δvap6.6 ± 0.1kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.391319.4N/AMajer and Svoboda, 1985 
6.86270.N/ADykyj, Svoboda, et al., 1999Based on data from 255. to 354. K.; AC
6.48369.N/ADykyj, Svoboda, et al., 1999Based on data from 354. to 552. K.; AC
6.81275.AStephenson and Malanowski, 1987Based on data from 260. to 353. K.; AC
6.55353.AStephenson and Malanowski, 1987Based on data from 338. to 408. K.; AC
6.45403.AStephenson and Malanowski, 1987Based on data from 388. to 497. K.; AC
6.86505.AStephenson and Malanowski, 1987Based on data from 490. to 533. K.; AC
6.86270.EBBoublík and Aim, 1972Based on data from 255. to 318. K. See also Stephenson and Malanowski, 1987.; AC
6.72292.EBWaddington, Smith, et al., 1962Based on data from 277. to 353. K.; AC
6.72 ± 0.02282.CWaddington, Smith, et al., 1962AC
6.38 ± 0.02319.CWaddington, Smith, et al., 1962AC
6.60318.N/AThomson, 1946Based 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)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
282. to 319.8.8600.2264552.Majer and Svoboda, 1985 

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
276.74 to 353.084.061121168.62-31.616Waddington, Smith, et al., 1962Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.049161.11Brown and Manov, 1937DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
6.511161.11Brown and Manov, 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:


Reaction thermochemistry data

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

Chlorine anion + Carbon disulfide = (Chlorine anion • Carbon disulfide)

By formula: Cl- + CS2 = (Cl- • CS2)

Quantity Value Units Method Reference Comment
Δr8.80 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Δr11.7 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr13.9cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Δr20.cal/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr4.6 ± 2.2kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B
Δr5.7 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B,M

CS2- + Carbon disulfide = (CS2- • Carbon disulfide)

By formula: CS2- + CS2 = (CS2- • CS2)

Quantity Value Units Method Reference Comment
Δr21.9 ± 1.5kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Δr4.4 ± 1.1kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δr4.10 ± 0.60kcal/molLPESBowen and Eaton, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr30.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr13.0 ± 2.5kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

(CS2- • Carbon disulfide) + Carbon disulfide = (CS2- • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr4.60 ± 0.70kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δr6.4 ± 1.4kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr0.1 ± 3.3kcal/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

S2+ + Carbon disulfide = (S2+ • Carbon disulfide)

By formula: S2+ + CS2 = (S2+ • CS2)

Quantity Value Units Method Reference Comment
Δr30.9kcal/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Δr28.8kcal/molPIOno, Linn, et al., 1981gas phase; M
Δr21.9kcal/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; equilibrium uncertain; M
Quantity Value Units Method Reference Comment
Δr25.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Δr17.1cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; equilibrium uncertain; M

(Fluorine anion • 2Carbon disulfide) + Carbon disulfide = (Fluorine anion • 3Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr5.4 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Δr17.cal/mol*KN/AHiraoka, Fujimaki, et al., 1993gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr0.3 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + Carbon disulfide = (Fluorine anion • Carbon disulfide)

By formula: F- + CS2 = (F- • CS2)

Quantity Value Units Method Reference Comment
Δr35.0 ± 1.5kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Δr31.3 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B
Quantity Value Units Method Reference Comment
Δr28.2cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr26.5 ± 1.5kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B
Δr24.1 ± 2.0kcal/molIMRELarson and McMahon, 1985gas phase; B

CS2+ + Carbon disulfide = (CS2+ • Carbon disulfide)

By formula: CS2+ + CS2 = (CS2+ • CS2)

Quantity Value Units Method Reference Comment
Δr24.9kcal/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Δr21.9kcal/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M
Δr17.5kcal/molPIOno, Linn, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Δr21.9cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M

(CS2+ • 2Carbon disulfide) + Carbon disulfide = (CS2+ • 3Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr4.9kcal/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M
Δr3.9kcal/molPIOno, Linn, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr17.cal/mol*KN/AHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M

(Chlorine anion • 3Carbon disulfide) + Carbon disulfide = (Chlorine anion • 4Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr6.8 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B
Quantity Value Units Method Reference Comment
Δr-0.1 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B

CHS2+ + Carbon disulfide = (CHS2+ • Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr9.0kcal/molPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M
Δr11.1kcal/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr14.5cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M
Δr26.4cal/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M

(Chlorine anion • 2Carbon disulfide) + Carbon disulfide = (Chlorine anion • 3Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr7.20 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.3cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr0.8 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Chlorine anion • Carbon disulfide) + Carbon disulfide = (Chlorine anion • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr7.70 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr15.8cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr3.0 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Fluorine anion • Carbon disulfide) + Carbon disulfide = (Fluorine anion • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr6.70 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr15.3cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr2.1 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Iodide • Carbon disulfide) + Carbon disulfide = (Iodide • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr6.80 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr21.7cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr0.2 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Bromine anion • Carbon disulfide) + Carbon disulfide = (Bromine anion • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr7.30 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr20.4cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr1.2 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

Iodide + Carbon disulfide = (Iodide • Carbon disulfide)

By formula: I- + CS2 = (I- • CS2)

Quantity Value Units Method Reference Comment
Δr7.40 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr16.7cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr2.4 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

Bromine anion + Carbon disulfide = (Bromine anion • Carbon disulfide)

By formula: Br- + CS2 = (Br- • CS2)

Quantity Value Units Method Reference Comment
Δr8.30 ± 0.20kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr13.0cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr4.4 ± 1.0kcal/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(S2+ • 2Carbon disulfide) + Carbon disulfide = (S2+ • 3Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr5.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr17.cal/mol*KN/AHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M

(S2- • Carbon disulfide) + Carbon disulfide = (S2- • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr6.1kcal/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr20.cal/mol*KN/AHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M

(CS2+ • Carbon disulfide) + Carbon disulfide = (CS2+ • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr6.5kcal/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Δr4.4kcal/molPIOno, Linn, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr21.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M

Methyl cation + Carbon disulfide = (Methyl cation • Carbon disulfide)

By formula: CH3+ + CS2 = (CH3+ • CS2)

Quantity Value Units Method Reference Comment
Δr60.2kcal/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M

(CS2- • 3Carbon disulfide) + Carbon disulfide = (CS2- • 4Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr2.3 ± 6.7kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

(CS2- • 4Carbon disulfide) + Carbon disulfide = (CS2- • 5Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr1.8 ± 6.6kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

(CS2- • 2Carbon disulfide) + Carbon disulfide = (CS2- • 3Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr-23.40kcal/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

(S2+ • Carbon disulfide) + Carbon disulfide = (S2+ • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr8.3kcal/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr23.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M

(CHS2+ • Carbon disulfide) + Carbon disulfide = (CHS2+ • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr4.7kcal/molPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr14.3cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M

S2- + Carbon disulfide = (S2- • Carbon disulfide)

By formula: S2- + CS2 = (S2- • CS2)

Quantity Value Units Method Reference Comment
Δr19.1kcal/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr29.cal/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M

C6H6+ + Carbon disulfide = (C6H6+ • Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr12.2kcal/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr24.cal/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

(CS2+ • 3Carbon disulfide) + Carbon disulfide = (CS2+ • 4Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr2.6kcal/molPIOno, Linn, et al., 1980gas phase; M

(Iron ion (1+) • Carbon disulfide) + Carbon disulfide = (Iron ion (1+) • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr44.9 ± 1.4kcal/molCIDTRodgers and Armentrout, 2000RCD

CS+ + Carbon disulfide = (CS+ • Carbon disulfide)

By formula: CS+ + CS2 = (CS+ • CS2)

Quantity Value Units Method Reference Comment
Δr36.0kcal/molPIOno, Linn, et al., 1981gas phase; M

Sulfur cation + Carbon disulfide = (Sulfur cation • Carbon disulfide)

By formula: S+ + CS2 = (S+ • CS2)

Quantity Value Units Method Reference Comment
Δr39.7kcal/molPIGress, Linn, et al., 1980gas phase; M

trithiocarbonic acid = Carbon disulfide + Hydrogen sulfide

By formula: CH2S3 = CS2 + H2S

Quantity Value Units Method Reference Comment
Δr10.6 ± 0.3kcal/molCmGattow and Krebes, 1963liquid phase; ALS

Iron ion (1+) + Carbon disulfide = (Iron ion (1+) • Carbon disulfide)

By formula: Fe+ + CS2 = (Fe+ • CS2)

Quantity Value Units Method Reference Comment
Δr39.7 ± 1.2kcal/molCIDTRodgers and Armentrout, 2000RCD

Vanadium ion (1+) + Carbon disulfide = (Vanadium ion (1+) • Carbon disulfide)

By formula: V+ + CS2 = (V+ • CS2)

Quantity Value Units Method Reference Comment
Δr27.2 ± 3.0kcal/molCIDTSchroeder, Kretzschmar, et al., 2003RCD

Molybdenum ion (1+) + Carbon disulfide = (Molybdenum ion (1+) • Carbon disulfide)

By formula: Mo+ + CS2 = (Mo+ • CS2)

Quantity Value Units Method Reference Comment
Δr16.1 ± 3.0kcal/molCIDTSchroeder, Kretzschmar, et al., 2003RCD

Henry's Law data

Go To: Top, Gas phase thermochemistry data, 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 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
0.0552800.MN/A 
0.051 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0751200.XN/A 
0.0444100.XN/AAs quoted by missing citation.
0.0564000.XRex, 1906As quoted by missing citation.

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center, 1990.
NIST MS number 118705

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References

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

McMahon, Heinis, et al., 1988
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]

Foster, Williamson, et al., 1974
Foster, M.S.; Williamson, A.D.; Beauchamp, J.L., Photoionization mass spectrometry of trans-azomethane, Int. J. Mass Spectrom. Ion Phys., 1974, 15, 429. [all data]

Meot-Ner (Mautner), Hamlet, et al., 1978
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]

Rodgers and Armentrout, 2000
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]

Gress, Linn, et al., 1980
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]

Gattow and Krebes, 1963
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]

Rex, 1906
Rex, A., Uber die Loslichkeit der Halogenderivate der Kohlenwasserstoffe in Wasser, Z. Phys. Chem. (Frankfurt/Main), 1906, 55, 355-370. [all data]


Notes

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