Carbon disulfide

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Gas phase thermochemistry data

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

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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 ± 0.005eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)163.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity157.2kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
0.5525 ± 0.0013N/ACavanagh, Gibson, et al., 2012poor Franck-Condon overlap makes previous LPES studies too bound; B
0.580 ± 0.050LPESMisaizu, Tsunoyama, et al., 2004Vertical Detachment Energy: 1.27±0.10 eV; B
0.51 ± 0.10IMREChowdhury, Heinis, et al., 1986ΔGea(423 K) = -12.7 kcal/mol; ΔSea (estimated) = +2.0 eu.; B
<0.799982LPESScheidt and Weinkauf, 1997B
0.000694N/ACompton, Dunning, et al., 1996Quadrupole-bound state; B
0.60 ± 0.10ECDChen and Wentworth, 1983B
0.50 ± 0.20EndoHughes, Lifschitz, et al., 1973B
1.460 ± 0.020LPESTsukuda, Hirose, et al., 1997EA given is Vertical Detachment Energy. Poor Franck-Condon overlap; B
0.89 ± 0.20LPESOakes and Ellison, 1986The discrepancy with equilibrium has not been resolved. Poor Franck-Condon overlap.; B
1.00 ± 0.20NBIECompton, Reinhardt, et al., 1975B
0.94 ± 0.32IMRBKraus, Muller-Duysing, et al., 1961Between NH2-, C-; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.078TEFischer, Lochschmidt, et al., 1993LL
10.080 ± 0.002PEWang, Reutt, et al., 1988LL
10.077PEReineck, Wannberg, et al., 1984LBLHLM
10. ± 1.EICarnovale, Hitchcock, et al., 1982LBLHLM
10.06PEKimura, Katsumata, et al., 1981LLK
10.079 ± 0.003PEPotts and Fattahallah, 1980LLK
10.0685 ± 0.0020SOno, Linn, et al., 1980LLK
10.05 ± 0.08EIMiletic, Eres, et al., 1980LLK
10.06 ± 0.025EIHubin-Franskin, Marmet, et al., 1980LLK
10.074PEHubin-Franskin, Delwiche, et al., 1980LLK
10.125PITrott, Blais, et al., 1979LLK
10.076 ± 0.005PICoppens, Reynaert, et al., 1979LLK
10.077PIFrey, Gotchev, et al., 1978LLK
10.074 ± 0.005PIDrowart, Smets, et al., 1978LLK
10.1 ± 0.1EIHildenbrand, 1975LLK
10.06PENatalis, 1973LLK
10.06 ± 0.01PEFrost, Lee, et al., 1973LLK
10.06PEKroto and Suffolk, 1972LLK
10.07 ± 0.10EIHildenbrand, 1972LLK
10.068 ± 0.005PEBrundle and Turner, 1969RDSH
10.122 ± 0.005PEBrundle and Turner, 1969RDSH
10.13PIMomigny and Delwiche, 1968RDSH
10.075PIMomigny and Delwiche, 1968RDSH
10.08 ± 0.01PEEland and Danby, 1968RDSH
10.14 ± 0.01PEEland and Danby, 1968RDSH
10.059 ± 0.008PIDibeler and Walker, 1967RDSH
10.112 ± 0.008PIDibeler and Walker, 1967RDSH
10.080STanaka, Jursa, et al., 1960RDSH
10.134STanaka, Jursa, et al., 1960RDSH
10.079SPrice and Simpson, 1938RDSH
10.133SPrice and Simpson, 1938RDSH
10.09PESchweig and Thiel, 1974Vertical value; LLK
10.10PEPotts and Williams, 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+10. ± 1.?EICarnovale, Hitchcock, et al., 1982LBLHLM
C+20.0 ± 0.1S2EIFerreira and Fronteira_e_Silva, 1970RDSH
C+19.9 ± 0.6S2EICuthbert, Farren, et al., 1968RDSH
C+24.0 ± 0.52SEICuthbert, Farren, et al., 1968RDSH
CS+16. ± 1.SEICarnovale, Hitchcock, et al., 1982LBLHLM
CS+14.10 ± 0.08SEIMiletic, Eres, et al., 1980LLK
CS+15.75 ± 0.02SPICoppens, Reynaert, et al., 1979LLK
CS+15.94 ± 0.07SEIHubin-Franskin, Huard, et al., 1978LLK
CS+13.9 ± 0.1S(-)EIHubin-Franskin, Huard, et al., 1978LLK
CS+15.75 ± 0.02SPIDrowart, Smets, et al., 1978LLK
CS+13.64 ± 0.02S(-)PIDrowart, Smets, et al., 1978LLK
CS+14.5S(-)EIHubin-Franskin, Locht, et al., 1976LLK
CS+14.7SEIHubin-Franskin, Locht, et al., 1976LLK
CS+16. ± 1.SEIMomigny, Mathieu, et al., 1973LLK
CS+16.15 ± 0.10SEIMomigny and Delwiche, 1968RDSH
CS+9.6 ± 0.6SEICuthbert, Farren, et al., 1968RDSH
CS+16.16 ± 0.01SPIDibeler and Walker, 1967RDSH
S+15. ± 1.CSEICarnovale, Hitchcock, et al., 1982LBLHLM
S+13.40 ± 0.08CSEIMiletic, Eres, et al., 1980LLK
S+14.80 ± 0.02CSPICoppens, Reynaert, et al., 1979LLK
S+14.88 ± 0.05CSEIHubin-Franskin, Huard, et al., 1978LLK
S+14.80 ± 0.02CSPIDrowart, Smets, et al., 1978LLK
S+13.35CSEIHubin-Franskin, Locht, et al., 1976LLK
S+15. ± 1.CSEIMomigny, Mathieu, et al., 1973LLK
S+17. ± 1.CSEIMomigny, Mathieu, et al., 1973LLK
S+14.8CSPIDibeler and Walker, 1967RDSH
S2+17. ± 1.CEICarnovale, Hitchcock, et al., 1982LBLHLM
S2+16.82 ± 0.02CPICoppens, Reynaert, et al., 1979LLK
S2+16.88 ± 0.02CPIDrowart, Smets, et al., 1978LLK
S2+14.9 ± 0.3CEIFerreira and Fronteira_e_Silva, 1970RDSH
S2+18.2 ± 0.9CEICuthbert, Farren, et al., 1968RDSH
S2+9.6 ± 0.6CEICuthbert, Farren, et al., 1968RDSH

Ion clustering data

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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

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

(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

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

(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

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

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

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+ • 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

(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

(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

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

(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

(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

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

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

(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

(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 • 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

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

(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

(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

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

(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

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

(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

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

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

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

(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

(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 = (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

(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

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

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, 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

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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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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-5100.564.4Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-5120.576.0Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-560.558.0Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-580.557.3Miller and Bruno, 200330. m/0.25 mm/0.1 μm
PackedSE-3042.539.Rudenko, Mal'tsev, et al., 1985Column length: 3. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-1512.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

Kovats' RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCBP-20733.Shimadzu, 200325. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5544.Insausti, Goñi, et al., 200550. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
CapillaryCP Sil 8 CB538.Elmore, Mottram, et al., 200060. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C

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

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Column type Active phase I Reference Comment
CapillaryDB-5568.Beaulieu and Grimm, 200130. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min)

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax745.Malliaa, Fernandez-Garcia, et al., 200560. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min

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

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Column type Active phase I Reference Comment
CapillarySupelcowax-10701.Bianchi, Cantoni, et al., 200730. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)
CapillarySupelcowax-10701.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryCP-Wax 52CB751.Condurso, Verzera, et al., 200660. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
CapillaryCarbowax 20M780.Whitfield, Shea, et al., 1981Column length: 150. m; Column diameter: 0.75 mm; Program: not specified

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups100.564.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups60.558.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups80.557.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB517.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryHP-5 MS536.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryOV-101530.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C
CapillaryPONA537.Yang, Wang, et al., 200350. m/0.20 mm/0.50 μm, 2. K/min; Tstart: 30. C; Tend: 150. C
CapillaryPONA537.Yang, Yang, et al., 200350. m/0.20 mm/0.50 μm, Helium, 2. K/min; Tstart: 30. C; Tend: 170. C
CapillarySPB-5533.Pérès, Begnaud, et al., 200260. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 5. min
CapillaryHP-5536.García, Martín, et al., 200060. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C
CapillaryDB-1517.Habu, Flath, et al., 19853. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C
CapillaryOV-101512.del Rosario, de Lumen, et al., 1984He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5 MS540.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryVF-5569.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)
CapillaryVF-5568.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryHP-5544.Pugliese, Sirtori, et al., 200950. m/0.32 mm/1.05 μm, Helium; Program: not specified
CapillaryHP-1515.Barra, Baldovini, et al., 200750. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)
CapillaryDB-5 MS517.Liu, Xu, et al., 200760. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
CapillaryHP-5534.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5534.Garcia-Estaban, Ansorena, et al., 2004, 250. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
CapillaryBPX-5549.Machiels, Istasse, et al., 200460. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
CapillaryRTX-5 MS549.Machiels and Istasse, 200360. m/0.25 mm/0.5 μm, He; Program: 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min)
CapillaryPONA537.Yang, Wang, et al., 200350. m/0.20 mm/0.50 μm; Program: not specified
CapillaryMethyl phenyl siloxane (not specified)536.Poligne, Collignan, et al., 2002Program: not specified
CapillaryDB-5 MS561.Luo and Agnew, 200130. m/0.25 mm/1.0 μm, Helium; Program: not specified
CapillaryPolydimethyl siloxanes530.Zenkevich, 2001Program: not specified
CapillarySPB-1527.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1518.Nedjma and Maujean, 199530. m/0.32 mm/4. μm, H2; Program: 35(1)-10 -> 55-25 ->250
CapillaryMethyl Silicone524.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryDB-1513.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-1514.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillarySPB-1527.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1524.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryCP Sil 8 CB539.Weller and Wolf, 198940. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
CapillaryOV-1524.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax710.Ganeko, Shoda, et al., 20084. K/min; Column length: 60. m; Column diameter: 0.35 mm; Tstart: 40. C; Tend: 200. C
CapillaryTC-Wax735.Ishikawa, Ito, et al., 200460. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPolyethylene Glycol748.Zenkevich, Korolenko, et al., 1995Program: not specified
CapillaryCarbowax 20M745.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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
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
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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]

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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]

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Zhdanov, A.K., On the thermal capacity of some pure liquids and azeotropic mixtures, Zhur. Obshch. Khim., 1945, 15, 895-902. [all data]

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Mazur, J., Über die spezifische Wärme des Äthyläthers, des Nitrobenzols und des Schwefelkohlenstoffs, Z. Physik., 1939, 113, 710-720. [all data]

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Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

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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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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]

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Notes

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