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, Ion clustering data, Gas Chromatography, 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, Ion clustering data, Gas Chromatography, 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, Ion clustering data, Gas Chromatography, 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, Ion clustering data, Gas Chromatography, 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

Ion clustering data

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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, References, Notes

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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-5	100.	564.4	Miller and Bruno, 2003	30. m/0.25 mm/0.1 μm
Capillary	DB-5	120.	576.0	Miller and Bruno, 2003	30. m/0.25 mm/0.1 μm
Capillary	DB-5	60.	558.0	Miller and Bruno, 2003	30. m/0.25 mm/0.1 μm
Capillary	DB-5	80.	557.3	Miller and Bruno, 2003	30. m/0.25 mm/0.1 μm
Packed	SE-30	42.	539.	Rudenko, Mal'tsev, et al., 1985	Column length: 3. m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CBP-1	512.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C

Kovats' RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CBP-20	733.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	544.	Insausti, Goñi, et al., 2005	50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
Capillary	CP Sil 8 CB	538.	Elmore, Mottram, et al., 2000	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; T_end: 280. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	568.	Beaulieu and Grimm, 2001	30. 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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	745.	Malliaa, Fernandez-Garcia, et al., 2005	60. 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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	701.	Bianchi, Cantoni, et al., 2007	30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min)
Capillary	Supelcowax-10	701.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	CP-Wax 52CB	751.	Condurso, Verzera, et al., 2006	60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
Capillary	Carbowax 20M	780.	Whitfield, Shea, et al., 1981	Column length: 150. m; Column diameter: 0.75 mm; Program: not specified

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Polydimethyl siloxane with 5 % Ph groups	100.	564.	Safa and Hadjmohannadi, 2005	30. m/0.25 mm/0.10 μm, Nitrogen
Capillary	Polydimethyl siloxane with 5 % Ph groups	60.	558.	Safa and Hadjmohannadi, 2005	30. m/0.25 mm/0.10 μm, Nitrogen
Capillary	Polydimethyl siloxane with 5 % Ph groups	80.	557.	Safa and Hadjmohannadi, 2005	30. m/0.25 mm/0.10 μm, Nitrogen

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane: CP-Sil 5 CB	517.	Bramston-Cook, 2013	60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
Capillary	HP-5 MS	536.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
Capillary	OV-101	530.	Zenkevich, 2005	25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; T_start: 50. C; T_end: 250. C
Capillary	PONA	537.	Yang, Wang, et al., 2003	50. m/0.20 mm/0.50 μm, 2. K/min; T_start: 30. C; T_end: 150. C
Capillary	PONA	537.	Yang, Yang, et al., 2003	50. m/0.20 mm/0.50 μm, Helium, 2. K/min; T_start: 30. C; T_end: 170. C
Capillary	SPB-5	533.	Pérès, Begnaud, et al., 2002	60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 5. min
Capillary	HP-5	536.	García, Martín, et al., 2000	60. m/0.32 mm/1. μm, He, 3. K/min; T_start: 40. C; T_end: 240. C
Capillary	DB-1	517.	Habu, Flath, et al., 1985	3. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_start: 0. C; T_end: 250. C
Capillary	OV-101	512.	del Rosario, de Lumen, et al., 1984	He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; T_end: 225. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	540.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	VF-5	569.	Shivashankar, Roy, et al., 2012	30. 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)
Capillary	VF-5	568.	Shivashankar, Roy, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	HP-5	544.	Pugliese, Sirtori, et al., 2009	50. m/0.32 mm/1.05 μm, Helium; Program: not specified
Capillary	HP-1	515.	Barra, Baldovini, et al., 2007	50. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)
Capillary	DB-5 MS	517.	Liu, Xu, et al., 2007	60. 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)
Capillary	HP-5	534.	Garcia-Estaban, Ansorena, et al., 2004	50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
Capillary	DB-5	534.	Garcia-Estaban, Ansorena, et al., 2004, 2	50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
Capillary	BPX-5	549.	Machiels, Istasse, et al., 2004	60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
Capillary	RTX-5 MS	549.	Machiels and Istasse, 2003	60. m/0.25 mm/0.5 μm, He; Program: 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min)
Capillary	PONA	537.	Yang, Wang, et al., 2003	50. m/0.20 mm/0.50 μm; Program: not specified
Capillary	Methyl phenyl siloxane (not specified)	536.	Poligne, Collignan, et al., 2002	Program: not specified
Capillary	DB-5 MS	561.	Luo and Agnew, 2001	30. m/0.25 mm/1.0 μm, Helium; Program: not specified
Capillary	Polydimethyl siloxanes	530.	Zenkevich, 2001	Program: not specified
Capillary	SPB-1	527.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	SPB-1	518.	Nedjma and Maujean, 1995	30. m/0.32 mm/4. μm, H2; Program: 35(1)-10-> 55-25->250
Capillary	Methyl Silicone	524.	Zenkevich, Korolenko, et al., 1995	Program: not specified
Capillary	DB-1	513.	Ciccioli, Cecinato, et al., 1994	60. m/0.32 mm/0.25 μm; Program: not specified
Capillary	DB-1	514.	Ciccioli, Brancaleoni, et al., 1993	60. 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
Capillary	SPB-1	527.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
Capillary	SPB-1	524.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: not specified
Capillary	CP Sil 8 CB	539.	Weller and Wolf, 1989	40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
Capillary	OV-1	524.	Ramsey and Flanagan, 1982	Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	710.	Ganeko, Shoda, et al., 2008	4. K/min; Column length: 60. m; Column diameter: 0.35 mm; T_start: 40. C; T_end: 200. C
Capillary	TC-Wax	735.	Ishikawa, Ito, et al., 2004	60. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; T_end: 230. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Polyethylene Glycol	748.	Zenkevich, Korolenko, et al., 1995	Program: not specified
Capillary	Carbowax 20M	745.	Ramsey and Flanagan, 1982	Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, Notes

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Notes

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Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
S°_liquid	Entropy of liquid at standard conditions
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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