Carbon disulfide

Formula: CS₂
Molecular weight: 76.141
IUPAC Standard InChI: InChI=1S/CS2/c2-1-3
IUPAC Standard InChIKey: QGJOPFRUJISHPQ-UHFFFAOYSA-N
CAS Registry Number: 75-15-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: Carbon bisulfide; Carbon sulfide (CS2); Dithiocarbonic anhydride; CS2; Carbon sulfide; Carbon-disulphide-; Carbon bisulphide; Carbon sulphide; Kohlendisulfid; Koolstofdisulfide; NCI-C04591; Rcra waste number P022; Schwefelkohlenstoff; Solfuro di carbonio; Sulphocarbonic anhydride; UN 1131; Weeviltox; Wegla dwusiarczek; Alcohol of sulfur; Carbon bisulfuret; Methyl disulfide; Sulfocarbonic anhydride
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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, References, Notes

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	27.949	kcal/mol	Review	Chase, 1998	Data last reviewed in December, 1976
Δ_fH°_gas	27.98 ± 0.19	kcal/mol	Ccr	Good, Lacina, et al., 1961	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-265.8	kcal/mol	Ccb	Guerin, Marthe, et al., 1949	ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	56.879	cal/mol*K	Review	Chase, 1998	Data last reviewed in December, 1976

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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View table.

Temperature (K)	298. to 1000.	1000. to 6000.
A	8.569291	14.63980
B	12.54570	0.329547
C	-9.760381	-0.033585
D	2.868440	0.002219
E	-0.053736	-0.775345
F	24.73781	21.52750
G	63.61370	71.56049
H	27.95010	27.95010
Reference	Chase, 1998	Chase, 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, References, Notes

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
Δ_fH°_liquid	21.37 ± 0.17	kcal/mol	Ccr	Good, Lacina, et al., 1961	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-403.24 ± 0.12	kcal/mol	Ccr	Good, Lacina, et al., 1961	Reanalyzed by Cox and Pilcher, 1970, Original value = -402.09 ± 0.12 kcal/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	36.09	cal/mol*K	N/A	Brown and Manov, 1937	DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
18.88	298.	Staveley, Tupman, et al., 1955	T = 286 to 317 K.; DH
17.90	294.81	Zhdanov, 1945	T = 7 to 31°C. Value is unsmoothed experimental datum.; DH
18.6	293.	Mazur, 1939	T = -100 to 20°C.; DH
18.2	301.2	Phillip, 1939	DH
18.17	297.43	Brown and Manov, 1937	T = 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, References, Notes

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
T_boil	319.2 ± 0.6	K	AVG	N/A	Average of 13 out of 14 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	161. ± 3.	K	AVG	N/A	Average of 8 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_triple	161.11	K	N/A	Brown and Manov, 1937, 2	Uncertainty assigned by TRC = 0.02 K; TRC
T_triple	161.59	K	N/A	Stull, 1937	Uncertainty assigned by TRC = 0.2 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_c	552.	K	N/A	Majer and Svoboda, 1985
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	6.6 ± 0.1	kcal/mol	AVG	N/A	Average of 6 values; Individual data points

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
6.391	319.4	N/A	Majer and Svoboda, 1985
6.86	270.	N/A	Dykyj, Svoboda, et al., 1999	Based on data from 255. to 354. K.; AC
6.48	369.	N/A	Dykyj, Svoboda, et al., 1999	Based on data from 354. to 552. K.; AC
6.81	275.	A	Stephenson and Malanowski, 1987	Based on data from 260. to 353. K.; AC
6.55	353.	A	Stephenson and Malanowski, 1987	Based on data from 338. to 408. K.; AC
6.45	403.	A	Stephenson and Malanowski, 1987	Based on data from 388. to 497. K.; AC
6.86	505.	A	Stephenson and Malanowski, 1987	Based on data from 490. to 533. K.; AC
6.86	270.	EB	Boublík and Aim, 1972	Based on data from 255. to 318. K. See also Stephenson and Malanowski, 1987.; AC
6.72	292.	EB	Waddington, Smith, et al., 1962	Based on data from 277. to 353. K.; AC
6.72 ± 0.02	282.	C	Waddington, Smith, et al., 1962	AC
6.38 ± 0.02	319.	C	Waddington, Smith, et al., 1962	AC
6.60	318.	N/A	Thomson, 1946	Based on data from 303. to 358. K.; AC

Enthalpy of vaporization

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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Temperature (K)	A (kcal/mol)	β	T_c (K)	Reference	Comment
282. to 319.	8.860	0.2264	552.	Majer and Svoboda, 1985

Antoine Equation Parameters

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

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Temperature (K)	A	B	C	Reference	Comment
276.74 to 353.08	4.06112	1168.62	-31.616	Waddington, Smith, et al., 1962	Coefficents calculated by NIST from author's data.

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Reference	Comment
1.049	161.11	Brown and Manov, 1937	DH

Entropy of fusion

Δ_fusS (cal/mol*K)	Temperature (K)	Reference	Comment
6.511	161.11	Brown and Manov, 1937	DH

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, References, Notes

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

+ Carbon disulfide = ( • )

By formula: Cl^- + CS₂ = (Cl^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.80 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Δ_rH°	11.7 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	13.9	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Δ_rS°	20.	cal/mol*K	N/A	Larson and McMahon, 1985	gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.6 ± 2.2	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B
Δ_rG°	5.7 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1985	gas phase; B,M

CS₂^- + Carbon disulfide = (CS₂^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.9 ± 1.5	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B,M
Δ_rH°	4.4 ± 1.1	kcal/mol	N/A	Tsukuda, Hirose, et al., 1997	gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δ_rH°	4.10 ± 0.60	kcal/mol	LPES	Bowen and Eaton, 1988	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13.0 ± 2.5	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.60 ± 0.70	kcal/mol	N/A	Tsukuda, Hirose, et al., 1997	gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δ_rH°	6.4 ± 1.4	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.1 ± 3.3	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B

S₂⁺ + Carbon disulfide = (S₂⁺ • )

By formula: S₂⁺ + CS₂ = (S₂⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	30.9	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	28.8	kcal/mol	PI	Ono, Linn, et al., 1981	gas phase; M
Δ_rH°	21.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; equilibrium uncertain; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rS°	17.1	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; equilibrium uncertain; M

( • 2 Carbon disulfide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	5.4 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1993	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.3 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B

+ Carbon disulfide = ( • )

By formula: F^- + CS₂ = (F^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.0 ± 1.5	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Δ_rH°	31.3 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1985	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.2	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26.5 ± 1.5	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B
Δ_rG°	24.1 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1985	gas phase; B

CS₂⁺ + Carbon disulfide = (CS₂⁺ • )

By formula: CS₂⁺ + CS₂ = (CS₂⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	24.9	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	21.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M
Δ_rH°	17.5	kcal/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rS°	21.9	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.9	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Δ_rH°	3.9	kcal/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M

( • 3 Carbon disulfide ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.8 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	-0.1 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B

CHS₂⁺ + Carbon disulfide = (CHS₂⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Δ_rH°	11.1	kcal/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	14.5	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Δ_rS°	26.4	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M

( • 2 Carbon disulfide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.20 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.3	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.8 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

( • Carbon disulfide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.70 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.8	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.0 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

( • Carbon disulfide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.70 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.3	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.1 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

( • Carbon disulfide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.80 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.7	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.2 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

( • Carbon disulfide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.30 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.4	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.2 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

+ Carbon disulfide = ( • )

By formula: I^- + CS₂ = (I^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.40 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	16.7	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.4 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

+ Carbon disulfide = ( • )

By formula: Br^- + CS₂ = (Br^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.30 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	13.0	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.4 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	5.5	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.1	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.5	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	4.4	kcal/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M

+ Carbon disulfide = ( • )

By formula: CH₃⁺ + CS₂ = (CH₃⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.2	kcal/mol	PHPMS	McMahon, Heinis, et al., 1988	gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.3 ± 6.7	kcal/mol	N/A	Tsukuda, Hirose, et al., 1997	gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.8 ± 6.6	kcal/mol	N/A	Tsukuda, Hirose, et al., 1997	gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-23.40	kcal/mol	N/A	Tsukuda, Hirose, et al., 1997	gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.3	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.7	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	14.3	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M

S₂^- + Carbon disulfide = (S₂^- • )

By formula: S₂^- + CS₂ = (S₂^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.1	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M

C₆H₆⁺ + Carbon disulfide = (C₆H₆⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.2	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.6	kcal/mol	PI	Ono, Linn, et al., 1980	gas phase; M

( • Carbon disulfide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	44.9 ± 1.4	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

CS⁺ + Carbon disulfide = (CS⁺ • )

By formula: CS⁺ + CS₂ = (CS⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.0	kcal/mol	PI	Ono, Linn, et al., 1981	gas phase; M

+ Carbon disulfide = ( • )

By formula: S⁺ + CS₂ = (S⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.7	kcal/mol	PI	Gress, Linn, et al., 1980	gas phase; M

= Carbon disulfide +

By formula: CH₂S₃ = CS₂ + H₂S

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.6 ± 0.3	kcal/mol	Cm	Gattow and Krebes, 1963	liquid phase; ALS

+ Carbon disulfide = ( • )

By formula: Fe⁺ + CS₂ = (Fe⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.7 ± 1.2	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

+ Carbon disulfide = ( • )

By formula: V⁺ + CS₂ = (V⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.2 ± 3.0	kcal/mol	CIDT	Schroeder, Kretzschmar, et al., 2003	RCD

+ Carbon disulfide = ( • )

By formula: Mo⁺ + CS₂ = (Mo⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.1 ± 3.0	kcal/mol	CIDT	Schroeder, Kretzschmar, et al., 2003	RCD

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, References, Notes

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to CS₂⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	10.073 ± 0.005	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	163.0	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	157.2	kcal/mol	N/A	Hunter and Lias, 1998	HL

Electron affinity determinations

EA (eV)	Method	Reference	Comment
0.5525 ± 0.0013	N/A	Cavanagh, Gibson, et al., 2012	poor Franck-Condon overlap makes previous LPES studies too bound; B
0.580 ± 0.050	LPES	Misaizu, Tsunoyama, et al., 2004	Vertical Detachment Energy: 1.27±0.10 eV; B
0.51 ± 0.10	IMRE	Chowdhury, Heinis, et al., 1986	ΔGea(423 K) = -12.7 kcal/mol; ΔSea (estimated) = +2.0 eu.; B
<0.799982	LPES	Scheidt and Weinkauf, 1997	B
0.000694	N/A	Compton, Dunning, et al., 1996	Quadrupole-bound state; B
0.60 ± 0.10	ECD	Chen and Wentworth, 1983	B
0.50 ± 0.20	Endo	Hughes, Lifschitz, et al., 1973	B
1.460 ± 0.020	LPES	Tsukuda, Hirose, et al., 1997	EA given is Vertical Detachment Energy. Poor Franck-Condon overlap; B
0.89 ± 0.20	LPES	Oakes and Ellison, 1986	The discrepancy with equilibrium has not been resolved. Poor Franck-Condon overlap.; B
1.00 ± 0.20	NBIE	Compton, Reinhardt, et al., 1975	B
0.94 ± 0.32	IMRB	Kraus, Muller-Duysing, et al., 1961	Between NH₂^-, C^-; B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.078	TE	Fischer, Lochschmidt, et al., 1993	LL
10.080 ± 0.002	PE	Wang, Reutt, et al., 1988	LL
10.077	PE	Reineck, Wannberg, et al., 1984	LBLHLM
10. ± 1.	EI	Carnovale, Hitchcock, et al., 1982	LBLHLM
10.06	PE	Kimura, Katsumata, et al., 1981	LLK
10.079 ± 0.003	PE	Potts and Fattahallah, 1980	LLK
10.0685 ± 0.0020	S	Ono, Linn, et al., 1980	LLK
10.05 ± 0.08	EI	Miletic, Eres, et al., 1980	LLK
10.06 ± 0.025	EI	Hubin-Franskin, Marmet, et al., 1980	LLK
10.074	PE	Hubin-Franskin, Delwiche, et al., 1980	LLK
10.125	PI	Trott, Blais, et al., 1979	LLK
10.076 ± 0.005	PI	Coppens, Reynaert, et al., 1979	LLK
10.077	PI	Frey, Gotchev, et al., 1978	LLK
10.074 ± 0.005	PI	Drowart, Smets, et al., 1978	LLK
10.1 ± 0.1	EI	Hildenbrand, 1975	LLK
10.06	PE	Natalis, 1973	LLK
10.06 ± 0.01	PE	Frost, Lee, et al., 1973	LLK
10.06	PE	Kroto and Suffolk, 1972	LLK
10.07 ± 0.10	EI	Hildenbrand, 1972	LLK
10.068 ± 0.005	PE	Brundle and Turner, 1969	RDSH
10.122 ± 0.005	PE	Brundle and Turner, 1969	RDSH
10.13	PI	Momigny and Delwiche, 1968	RDSH
10.075	PI	Momigny and Delwiche, 1968	RDSH
10.08 ± 0.01	PE	Eland and Danby, 1968	RDSH
10.14 ± 0.01	PE	Eland and Danby, 1968	RDSH
10.059 ± 0.008	PI	Dibeler and Walker, 1967	RDSH
10.112 ± 0.008	PI	Dibeler and Walker, 1967	RDSH
10.080	S	Tanaka, Jursa, et al., 1960	RDSH
10.134	S	Tanaka, Jursa, et al., 1960	RDSH
10.079	S	Price and Simpson, 1938	RDSH
10.133	S	Price and Simpson, 1938	RDSH
10.09	PE	Schweig and Thiel, 1974	Vertical value; LLK
10.10	PE	Potts and Williams, 1974	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C⁺	10. ± 1.	?	EI	Carnovale, Hitchcock, et al., 1982	LBLHLM
C⁺	20.0 ± 0.1	S₂	EI	Ferreira and Fronteira_e_Silva, 1970	RDSH
C⁺	19.9 ± 0.6	S₂	EI	Cuthbert, Farren, et al., 1968	RDSH
C⁺	24.0 ± 0.5	2S	EI	Cuthbert, Farren, et al., 1968	RDSH
CS⁺	16. ± 1.	S	EI	Carnovale, Hitchcock, et al., 1982	LBLHLM
CS⁺	14.10 ± 0.08	S	EI	Miletic, Eres, et al., 1980	LLK
CS⁺	15.75 ± 0.02	S	PI	Coppens, Reynaert, et al., 1979	LLK
CS⁺	15.94 ± 0.07	S	EI	Hubin-Franskin, Huard, et al., 1978	LLK
CS⁺	13.9 ± 0.1	S(^-)	EI	Hubin-Franskin, Huard, et al., 1978	LLK
CS⁺	15.75 ± 0.02	S	PI	Drowart, Smets, et al., 1978	LLK
CS⁺	13.64 ± 0.02	S(^-)	PI	Drowart, Smets, et al., 1978	LLK
CS⁺	14.5	S(^-)	EI	Hubin-Franskin, Locht, et al., 1976	LLK
CS⁺	14.7	S	EI	Hubin-Franskin, Locht, et al., 1976	LLK
CS⁺	16. ± 1.	S	EI	Momigny, Mathieu, et al., 1973	LLK
CS⁺	16.15 ± 0.10	S	EI	Momigny and Delwiche, 1968	RDSH
CS⁺	9.6 ± 0.6	S	EI	Cuthbert, Farren, et al., 1968	RDSH
CS⁺	16.16 ± 0.01	S	PI	Dibeler and Walker, 1967	RDSH
S⁺	15. ± 1.	CS	EI	Carnovale, Hitchcock, et al., 1982	LBLHLM
S⁺	13.40 ± 0.08	CS	EI	Miletic, Eres, et al., 1980	LLK
S⁺	14.80 ± 0.02	CS	PI	Coppens, Reynaert, et al., 1979	LLK
S⁺	14.88 ± 0.05	CS	EI	Hubin-Franskin, Huard, et al., 1978	LLK
S⁺	14.80 ± 0.02	CS	PI	Drowart, Smets, et al., 1978	LLK
S⁺	13.35	CS	EI	Hubin-Franskin, Locht, et al., 1976	LLK
S⁺	15. ± 1.	CS	EI	Momigny, Mathieu, et al., 1973	LLK
S⁺	17. ± 1.	CS	EI	Momigny, Mathieu, et al., 1973	LLK
S⁺	14.8	CS	PI	Dibeler and Walker, 1967	RDSH
S₂⁺	17. ± 1.	C	EI	Carnovale, Hitchcock, et al., 1982	LBLHLM
S₂⁺	16.82 ± 0.02	C	PI	Coppens, Reynaert, et al., 1979	LLK
S₂⁺	16.88 ± 0.02	C	PI	Drowart, Smets, et al., 1978	LLK
S₂⁺	14.9 ± 0.3	C	EI	Ferreira and Fronteira_e_Silva, 1970	RDSH
S₂⁺	18.2 ± 0.9	C	EI	Cuthbert, Farren, et al., 1968	RDSH
S₂⁺	9.6 ± 0.6	C	EI	Cuthbert, Farren, et al., 1968	RDSH

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, References, Notes

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

+ Carbon disulfide = ( • )

By formula: Br^- + CS₂ = (Br^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.30 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	13.0	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.4 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

( • Carbon disulfide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.30 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.4	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.2 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

CHS₂⁺ + Carbon disulfide = (CHS₂⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Δ_rH°	11.1	kcal/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	14.5	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Δ_rS°	26.4	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.7	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	14.3	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M

+ Carbon disulfide = ( • )

By formula: CH₃⁺ + CS₂ = (CH₃⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.2	kcal/mol	PHPMS	McMahon, Heinis, et al., 1988	gas 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⁺ • )

By formula: CS⁺ + CS₂ = (CS⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	36.0	kcal/mol	PI	Ono, Linn, et al., 1981	gas phase; M

CS₂⁺ + Carbon disulfide = (CS₂⁺ • )

By formula: CS₂⁺ + CS₂ = (CS₂⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	24.9	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	21.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M
Δ_rH°	17.5	kcal/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rS°	21.9	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.5	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	4.4	kcal/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.9	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Δ_rH°	3.9	kcal/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.6	kcal/mol	PI	Ono, Linn, et al., 1980	gas phase; M

CS₂^- + Carbon disulfide = (CS₂^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.9 ± 1.5	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B,M
Δ_rH°	4.4 ± 1.1	kcal/mol	N/A	Tsukuda, Hirose, et al., 1997	gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δ_rH°	4.10 ± 0.60	kcal/mol	LPES	Bowen and Eaton, 1988	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13.0 ± 2.5	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.60 ± 0.70	kcal/mol	N/A	Tsukuda, Hirose, et al., 1997	gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δ_rH°	6.4 ± 1.4	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.1 ± 3.3	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-23.40	kcal/mol	N/A	Tsukuda, Hirose, et al., 1997	gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.3 ± 6.7	kcal/mol	N/A	Tsukuda, Hirose, et al., 1997	gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1.8 ± 6.6	kcal/mol	N/A	Tsukuda, Hirose, et al., 1997	gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

C₆H₆⁺ + Carbon disulfide = (C₆H₆⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.2	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

+ Carbon disulfide = ( • )

By formula: Cl^- + CS₂ = (Cl^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.80 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Δ_rH°	11.7 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	13.9	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Δ_rS°	20.	cal/mol*K	N/A	Larson and McMahon, 1985	gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.6 ± 2.2	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B
Δ_rG°	5.7 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1985	gas phase; B,M

( • Carbon disulfide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.70 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.8	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3.0 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

( • 2 Carbon disulfide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.20 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.3	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.8 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

( • 3 Carbon disulfide ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.8 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	-0.1 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B

+ Carbon disulfide = ( • )

By formula: F^- + CS₂ = (F^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.0 ± 1.5	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Δ_rH°	31.3 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1985	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.2	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26.5 ± 1.5	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B
Δ_rG°	24.1 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1985	gas phase; B

( • Carbon disulfide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.70 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	15.3	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.1 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

( • 2 Carbon disulfide ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	5.4 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1993	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.3 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B

+ Carbon disulfide = ( • )

By formula: Fe⁺ + CS₂ = (Fe⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.7 ± 1.2	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

( • Carbon disulfide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	44.9 ± 1.4	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

+ Carbon disulfide = ( • )

By formula: I^- + CS₂ = (I^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.40 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	16.7	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.4 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

( • Carbon disulfide ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.80 ± 0.20	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.7	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.2 ± 1.0	kcal/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B

+ Carbon disulfide = ( • )

By formula: Mo⁺ + CS₂ = (Mo⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.1 ± 3.0	kcal/mol	CIDT	Schroeder, Kretzschmar, et al., 2003	RCD

+ Carbon disulfide = ( • )

By formula: S⁺ + CS₂ = (S⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.7	kcal/mol	PI	Gress, Linn, et al., 1980	gas phase; M

S₂⁺ + Carbon disulfide = (S₂⁺ • )

By formula: S₂⁺ + CS₂ = (S₂⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	30.9	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	28.8	kcal/mol	PI	Ono, Linn, et al., 1981	gas phase; M
Δ_rH°	21.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; equilibrium uncertain; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rS°	17.1	cal/mol*K	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; equilibrium uncertain; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.3	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	5.5	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M

S₂^- + Carbon disulfide = (S₂^- • )

By formula: S₂^- + CS₂ = (S₂^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.1	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.1	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M

+ Carbon disulfide = ( • )

By formula: V⁺ + CS₂ = (V⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	27.2 ± 3.0	kcal/mol	CIDT	Schroeder, Kretzschmar, et al., 2003	RCD

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, 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

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Cuthbert, J.; Farren, J.; PrahalladaRao, B.S.; Preece, E.R., Sequential mass spectrometry. III. Ions and fragments from carbon dioxide anddisulphide, J. Phys. B:, 1968, 1, 62. [all data]

Hubin-Franskin, Huard, et al., 1978
Hubin-Franskin, M.J.; Huard, D.; Marmet, P., On the heat of formation of CS from CS₂ and OCS, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 263. [all data]

Hubin-Franskin, Locht, et al., 1976
Hubin-Franskin, M.-J.; Locht, R.; Katihabwa, J., Dissociative ionization of carbon disulphide in the gas phase. Heat of formation of the CS radical, Chem. Phys. Lett., 1976, 37, 488. [all data]

Momigny, Mathieu, et al., 1973
Momigny, J.; Mathieu, G.; Wankenne, H.; Ferreira, M.A.A., Collision and non-collision induced predissociation in the appearance of S⁺ and CS⁺ ions from CS₂ under electron impact, Chem. Phys. Lett., 1973, 21, 606. [all data]

Notes

Symbols used in this document:

AE	Appearance energy
C_p,liquid	Constant pressure heat capacity of liquid
EA	Electron affinity
IE (evaluated)	Recommended ionization energy
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
S°_liquid	Entropy of liquid at standard conditions
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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