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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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	116.94	kJ/mol	Review	Chase, 1998	Data last reviewed in December, 1976
Δ_fH°_gas	117.1 ± 0.79	kJ/mol	Ccr	Good, Lacina, et al., 1961	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-1112.	kJ/mol	Ccb	Guerin, Marthe, et al., 1949	ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	237.98	J/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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.

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View table.

Temperature (K)	298. to 1000.	1000. to 6000.
A	35.85391	61.25292
B	52.49121	1.378826
C	-40.83743	-0.140520
D	12.00155	0.009284
E	-0.224831	-3.244044
F	103.5030	90.07106
G	266.1597	299.4091
H	116.9432	116.9432
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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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	89.41 ± 0.71	kJ/mol	Ccr	Good, Lacina, et al., 1961	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-1687.2 ± 0.50	kJ/mol	Ccr	Good, Lacina, et al., 1961	Reanalyzed by Cox and Pilcher, 1970, Original value = -1682.3 ± 0.50 kJ/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	151.0	J/mol*K	N/A	Brown and Manov, 1937	DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
78.99	298.	Staveley, Tupman, et al., 1955	T = 286 to 317 K.; DH
74.89	294.81	Zhdanov, 1945	T = 7 to 31°C. Value is unsmoothed experimental datum.; DH
77.8	293.	Mazur, 1939	T = -100 to 20°C.; DH
76.1	301.2	Phillip, 1939	DH
76.02	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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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°	27.5 ± 0.6	kJ/mol	AVG	N/A	Average of 6 values; Individual data points

Enthalpy of vaporization

Δ_vapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
26.74	319.4	N/A	Majer and Svoboda, 1985
28.7	270.	N/A	Dykyj, Svoboda, et al., 1999	Based on data from 255. to 354. K.; AC
27.1	369.	N/A	Dykyj, Svoboda, et al., 1999	Based on data from 354. to 552. K.; AC
28.5	275.	A	Stephenson and Malanowski, 1987	Based on data from 260. to 353. K.; AC
27.4	353.	A	Stephenson and Malanowski, 1987	Based on data from 338. to 408. K.; AC
27.0	403.	A	Stephenson and Malanowski, 1987	Based on data from 388. to 497. K.; AC
28.7	505.	A	Stephenson and Malanowski, 1987	Based on data from 490. to 533. K.; AC
28.7	270.	EB	Boublík and Aim, 1972	Based on data from 255. to 318. K. See also Stephenson and Malanowski, 1987.; AC
28.1	292.	EB	Waddington, Smith, et al., 1962	Based on data from 277. to 353. K.; AC
28.1 ± 0.1	282.	C	Waddington, Smith, et al., 1962	AC
26.7 ± 0.1	319.	C	Waddington, Smith, et al., 1962	AC
27.6	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) (kJ/mol)
T_r = reduced temperature (T / T_c)

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Temperature (K)	A (kJ/mol)	β	T_c (K)	Reference	Comment
282. to 319.	37.07	0.2264	552.	Majer and Svoboda, 1985

Antoine Equation Parameters

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

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Temperature (K)	A	B	C	Reference	Comment
276.74 to 353.08	4.06683	1168.62	-31.616	Waddington, Smith, et al., 1962	Coefficents calculated by NIST from author's data.

Enthalpy of fusion

Δ_fusH (kJ/mol)	Temperature (K)	Reference	Comment
4.389	161.11	Brown and Manov, 1937	DH

Entropy of fusion

Δ_fusS (J/mol*K)	Temperature (K)	Reference	Comment
27.24	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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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°	36.8 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Δ_rH°	49.0 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	58.2	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Δ_rS°	84.	J/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°	19. ± 9.2	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B
Δ_rG°	24. ± 8.4	kJ/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°	91.6 ± 6.3	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B,M
Δ_rH°	18. ± 4.6	kJ/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°	17.2 ± 2.5	kJ/mol	LPES	Bowen and Eaton, 1988	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	54. ± 10.	kJ/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°	19.2 ± 2.9	kJ/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°	27. ± 5.9	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	88.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0. ± 14.	kJ/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°	129.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	120.	kJ/mol	PI	Ono, Linn, et al., 1981	gas phase; M
Δ_rH°	91.6	kJ/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; equilibrium uncertain; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rS°	71.5	J/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°	23. ± 4.2	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.	J/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°	1. ± 4.2	kJ/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°	146. ± 6.3	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Δ_rH°	131. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1985	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	111. ± 6.3	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B
Δ_rG°	101. ± 8.4	kJ/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°	104.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	91.6	kJ/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M
Δ_rH°	73.2	kJ/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rS°	91.6	J/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°	21.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Δ_rH°	16.	kJ/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.	J/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°	28. ± 4.2	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	-0.4 ± 4.2	kJ/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°	38.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Δ_rH°	46.4	kJ/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	60.7	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Δ_rS°	110.	J/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°	30.1 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	89.1	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3. ± 4.2	kJ/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°	32.2 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	66.1	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 4.2	kJ/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°	28.0 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	64.0	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.8 ± 4.2	kJ/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°	28.5 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.8	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.8 ± 4.2	kJ/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°	30.5 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	85.4	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.0 ± 4.2	kJ/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°	31.0 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	69.9	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10. ± 4.2	kJ/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°	34.7 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	54.4	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18. ± 4.2	kJ/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°	23.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.	J/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°	26.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.	J/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°	27.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	18.	kJ/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	88.	J/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°	252.	kJ/mol	PHPMS	McMahon, Heinis, et al., 1988	gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/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°	10. ± 28.	kJ/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°	8. ± 28.	kJ/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°	-97.91	kJ/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°	35.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.	J/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°	20.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	59.8	J/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°	79.9	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/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°	51.0	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/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°	11.	kJ/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°	188. ± 5.9	kJ/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°	151.	kJ/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°	166.	kJ/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°	44. ± 1.	kJ/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°	166. ± 5.0	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD

+ Carbon disulfide = ( • )

By formula: V⁺ + CS₂ = (V⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	114. ± 13.	kJ/mol	CIDT	Schroeder, Kretzschmar, et al., 2003	RCD

+ Carbon disulfide = ( • )

By formula: Mo⁺ + CS₂ = (Mo⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	67. ± 13.	kJ/mol	CIDT	Schroeder, Kretzschmar, et al., 2003	RCD

Henry's Law data

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Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference	Comment
0.055	2800.	M	N/A
0.051		Q	N/A	missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.075	1200.	X	N/A
0.044	4100.	X	N/A	As quoted by missing citation.
0.056	4000.	X	Rex, 1906	As quoted by missing citation.

Gas phase ion energetics data

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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)	681.9	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	657.7	kJ/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

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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°	34.7 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	54.4	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	18. ± 4.2	kJ/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°	30.5 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	85.4	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	5.0 ± 4.2	kJ/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°	38.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Δ_rH°	46.4	kJ/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	60.7	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Δ_rS°	110.	J/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°	20.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1993, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	59.8	J/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°	252.	kJ/mol	PHPMS	McMahon, Heinis, et al., 1988	gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/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°	151.	kJ/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°	104.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	91.6	kJ/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; M
Δ_rH°	73.2	kJ/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rS°	91.6	J/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°	27.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	18.	kJ/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	88.	J/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°	21.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Δ_rH°	16.	kJ/mol	PI	Ono, Linn, et al., 1980	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.	J/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°	11.	kJ/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°	91.6 ± 6.3	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B,M
Δ_rH°	18. ± 4.6	kJ/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°	17.2 ± 2.5	kJ/mol	LPES	Bowen and Eaton, 1988	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	54. ± 10.	kJ/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°	19.2 ± 2.9	kJ/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°	27. ± 5.9	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1994	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	88.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0. ± 14.	kJ/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°	-97.91	kJ/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°	10. ± 28.	kJ/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°	8. ± 28.	kJ/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°	51.0	kJ/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/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°	36.8 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Δ_rH°	49.0 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1985	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	58.2	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Δ_rS°	84.	J/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°	19. ± 9.2	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B
Δ_rG°	24. ± 8.4	kJ/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°	32.2 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	66.1	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	13. ± 4.2	kJ/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°	30.1 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	89.1	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	3. ± 4.2	kJ/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°	28. ± 4.2	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	-0.4 ± 4.2	kJ/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°	146. ± 6.3	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Δ_rH°	131. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1985	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	111. ± 6.3	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B
Δ_rG°	101. ± 8.4	kJ/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°	28.0 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	64.0	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.8 ± 4.2	kJ/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°	23. ± 4.2	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.	J/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°	1. ± 4.2	kJ/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°	166. ± 5.0	kJ/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°	188. ± 5.9	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD

+ Carbon disulfide = ( • )

By formula: I^- + CS₂ = (I^- • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	31.0 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	69.9	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10. ± 4.2	kJ/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°	28.5 ± 0.84	kJ/mol	TDAs	Hiraoka, Fujimaki, et al., 1993	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	90.8	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1993	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	0.8 ± 4.2	kJ/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°	67. ± 13.	kJ/mol	CIDT	Schroeder, Kretzschmar, et al., 2003	RCD

+ Carbon disulfide = ( • )

By formula: S⁺ + CS₂ = (S⁺ • CS₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	166.	kJ/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°	129.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rH°	120.	kJ/mol	PI	Ono, Linn, et al., 1981	gas phase; M
Δ_rH°	91.6	kJ/mol	PHPMS	Meot-Ner (Mautner) and Field, 1977	gas phase; equilibrium uncertain; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	100.	J/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Δ_rS°	71.5	J/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°	35.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.	J/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°	23.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	71.	J/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°	79.9	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/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°	26.	kJ/mol	PHPMS	Hiraoka, Fujimaki, et al., 1994, 2	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	84.	J/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°	114. ± 13.	kJ/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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution
LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)
4, 4 cm^-1 resolution

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

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, References, Notes

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

Spectrum

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Additional Data

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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.

Gas Chromatography

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

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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, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Good, Lacina, et al., 1961
Good, W.D.; Lacina, J.L.; McCullough, J.P., Methanethiol and carbon disulfide: Heats of combustion and formation by rotating-bomb calorimetry, J. Phys. Chem., 1961, 65, 2229-2231. [all data]

Guerin, Marthe, et al., 1949
Guerin, M.H.; Marthe, M.; Bastick, J.; Adam-Gironne, J., Sur la chaleur de combustion du sulfure de carbon, Compt. Rend., 1949, 228, 87-89. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Brown and Manov, 1937
Brown, O.L.I.; Manov, G.G., The heat capacity of carbon disulfide from 15 to 300°K. The entropy and heat of fusion of carbon disulfide, J. Am. Chem. Soc., 1937, 59, 500-502. [all data]

Staveley, Tupman, et al., 1955
Staveley, L.A.K.; Tupman, W.I.; Hart, K.R., Some thermodynamice properties of the systems benzene + ethylene dichloride, benzene + carbon tetrachloride, acetone + chloroform, and acetone + carbon disulphide, Trans. Faraday Soc., 1955, 51, 323-342. [all data]

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

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

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

Brown and Manov, 1937, 2
Brown, O.L.I.; Manov, G.G., The heat capacity of carbon disulfide from 15 to 300 k: the entropy and heat of fusion of carbon disulfide, J. Am. Chem. Soc., 1937, 59, 500. [all data]

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

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Boublík and Aim, 1972
Boublík, T.; Aim, K., Heats of vaporization of simple non-spherical molecule compounds, Collect. Czech. Chem. Commun., 1972, 37, 11, 3513-3521, https://doi.org/10.1135/cccc19723513 . [all data]

Waddington, Smith, et al., 1962
Waddington, Guy; Smith, J.C.; Williamson, K.D.; Scott, D.W., CARBON DISULFIDE AS A REFERENCE SUBSTANCE FOR VAPOR-FLOW CALORIMETRY; THE CHEMICAL THERMODYNAMIC PROPERTIES, J. Phys. Chem., 1962, 66, 6, 1074-1077, https://doi.org/10.1021/j100812a025 . [all data]

Thomson, 1946
Thomson, George Wm., The Antoine Equation for Vapor-pressure Data., Chem. Rev., 1946, 38, 1, 1-39, https://doi.org/10.1021/cr60119a001 . [all data]

Hiraoka, Fujimaki, et al., 1993
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S., Bond Strengths of the Gas-Phase Cluster Ions X-(CS2)n (X = F, Cl, Br and I), Chem. Phys. Lett., 1993, 208, 5-6, 491, https://doi.org/10.1016/0009-2614(93)87178-6 . [all data]

Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B., Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria, J. Am. Chem. Soc., 1985, 107, 766. [all data]

Hiraoka, Fujimaki, et al., 1994
Hiraoka, K.; Fujimaki, S.; Aruga, K., Frontier-controlled Structures of the Gas Phas Clusters A+/-(CS2)n, A+/- = S2+, CS2+, S2-, and CS2-, J. Phys. Chem. (1994), 1994, 98, 7, 1802-1809, https://doi.org/10.1021/j100058a014 . [all data]

Tsukuda, Hirose, et al., 1997
Tsukuda, T.; Hirose, T.; Nagata, T., Negative-ion photoelectron spectroscopy of (CS2)(n)(-): coexistence of electronic isomers, Chem. Phys. Lett., 1997, 279, 3-4, 179-184, https://doi.org/10.1016/S0009-2614(97)01021-X . [all data]

Bowen and Eaton, 1988
Bowen, K.H.; Eaton, J.G., Photodetachment Spectroscopy of Negative Cluster Ions, in The Structure of Small Molecules and Ions, Ed. R. Naaman, Z. Vager, Plenum NY, 1988, 1988, p.147-169. [all data]

Hiraoka, Fujimaki, et al., 1994, 2
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Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Ganeko, Shoda, et al., 2008
Ganeko, N.; Shoda, M.; Hirohara, I.; Bhadra, A.; Ishida, T.; Matsuda, H.; Takamura, H.; Matoba, T., Analysis of volatile flavor compounds of sardine (Sardinops melanostica) by solid phase microextraction, J. Food Sci., 2008, 73, 1, s83-s88, https://doi.org/10.1111/j.1750-3841.2007.00608.x . [all data]

Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A., Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles, Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322 . [all data]

Notes

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

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
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
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
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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Carbon disulfide

Data at NIST subscription sites:

Gas phase thermochemistry data

Gas Phase Heat Capacity (Shomate Equation)

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Phase change data

Enthalpy of vaporization

Enthalpy of vaporization

Antoine Equation Parameters

Enthalpy of fusion

Entropy of fusion

Reaction thermochemistry data

Individual Reactions

Henry's Law data

Henry's Law constant (water solution)

Gas phase ion energetics data

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Ion clustering data

Clustering reactions

IR Spectrum

Mass spectrum (electron ionization)

Spectrum

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Additional Data

Gas Chromatography

Kovats' RI, non-polar column, isothermal

Kovats' RI, non-polar column, temperature ramp

Kovats' RI, polar column, temperature ramp

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

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

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

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

Normal alkane RI, non-polar column, isothermal

Normal alkane RI, non-polar column, temperature ramp

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

Normal alkane RI, polar column, temperature ramp

Normal alkane RI, polar column, custom temperature program

References

Notes