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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Information on this page:
Other data available:
- Henry's Law data
- IR Spectrum
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Gas phase thermochemistry data

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

Gas phase ion energetics data

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

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

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

View reactions leading to CS₂⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	10.073 ± 0.005	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	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

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

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

Mass spectrum (electron ionization)

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

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

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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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Hiraoka, Fujimaki, et al., 1994, 2
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S., Frontier-Controlled Structures of the Gas-Phase A+-(CS2)n Clusters ,A+- = S2+, CS2+, S2-, and CS2-, J. Phys. Chem., 1994, 98, 7, 1802, https://doi.org/10.1021/j100058a014 . [all data]

Ono, Linn, et al., 1981
Ono, Y.; Linn, S.H.; Prest, H.F.; Gress, M.E.; Ng, C.Y., A Study of the High Rydberg State and Ion - Molecule Reactions of Carbon Disulfide Using the Molecular Beam Photoionization Method, J. Chem. Phys., 1981, 74, 2, 1125, https://doi.org/10.1063/1.441219 . [all data]

Meot-Ner (Mautner) and Field, 1977
Meot-Ner (Mautner), M.; Field, F.H., Proton Affinity and Ion - Molecule Clustering in CO2 and CS2. Applications in Martian Ionospheric Chemistry, J. Chem. Phys., 1977, 66, 10, 4527, https://doi.org/10.1063/1.433706 . [all data]

Ono, Linn, et al., 1980
Ono, Y.; Linn, S.H.; Prest, H.F.; Gress, M.E.; Ng, C.Y., Molecular beam photoionization study of carbon disulfide, carbon disulfide dimer and clusters, J. Chem. Phys., 1980, 73, 2523. [all data]

Hiraoka, Fujimaki, et al., 1993, 2
Hiraoka, K.; Fujimaki, S.; Aruga, K., Proton-Held Dimer and Trimer of Carbon Disulfide, Chem. Phys. Lett., 1993, 202, 1-2, 167, https://doi.org/10.1016/0009-2614(93)85367-W . [all data]

McMahon, Heinis, et al., 1988
McMahon, T.; Heinis, T.; Nicol, G.; Hovey, J.K.; Kebarle, P., Methyl Cation Affinities, J. Am. Chem. Soc., 1988, 110, 23, 7591, https://doi.org/10.1021/ja00231a002 . [all data]

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

Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H., Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies, J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034 . [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Gress, Linn, et al., 1980
Gress, M.E.; Linn, S.H.; Ono, Y.; Prest, H.F.; Ng, C.Y., A Study of the Chemiionization Process CS2*(n) + CS2 ---> CS3+ + CS + e- Using the Molecular Beam Photoionization Method, J. Chem. Phys., 1980, 72, 7, 4242, https://doi.org/10.1063/1.439656 . [all data]

Gattow and Krebes, 1963
Gattow, V.G.; Krebes, B., Das kohlenstoffsulfid-di-(hydrogensulfid) SC(SH)₂ und das system H₂S-CS₂. 2. Thermochemie des SC(SH)₂, Z. Anorg. Allg. Chem., 1963, 322, 113. [all data]

Schroeder, Kretzschmar, et al., 2003
Schroeder, D.; Kretzschmar, I.; Schwarz; Armentrout, P.B., Structure, Thermochemistry, and Reactivityof MSn+ Cations (M=V,Mo; n=1-3) in the Gas Phase, Int. J. Mass Spectrom., 2003, 228, 2-3, 439, https://doi.org/10.1016/S1387-3806(03)00137-4 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Cavanagh, Gibson, et al., 2012
Cavanagh, S.J.; Gibson, S.T.; Lewis, B.R., High-resolution photoelectron spectroscopy of linear - bent polyatomic photodetachment transitions: The electron affinity of CS2, J. Chem. Phys., 2012, 137, 14, 144304, https://doi.org/10.1063/1.4757726 . [all data]

Misaizu, Tsunoyama, et al., 2004
Misaizu, F.; Tsunoyama, H.; Yasumura, Y.; Ohshimo, K.; Ohno, K., Photoelectron spectroscopy and density functional theory calculation of Na-n(CS2)(-) cluster negative ions for n=1 and 2, Chem. Phys. Lett., 2004, 389, 4-6, 241-246, https://doi.org/10.1016/j.cplett.2004.03.098 . [all data]

Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P., Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A^- + B = A + B^-, J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037 . [all data]

Scheidt and Weinkauf, 1997
Scheidt, J.; Weinkauf, R., Photodetachment photoelectron spectroscopy of Perylene and CS2: Two Extreme Cases., Chem. Phys. Lett., 1997, 274, 1-3, 18, https://doi.org/10.1016/S0009-2614(97)00648-9 . [all data]

Compton, Dunning, et al., 1996
Compton, R.N.; Dunning, F.B.; Nordlander, P., On the binding of Electrons to CS2: Possible Role of Quadrupole-Bound States, Chem. Phys. Lett., 1996, 253, 1-2, 8, https://doi.org/10.1016/0009-2614(96)00243-6 . [all data]

Chen and Wentworth, 1983
Chen, E.C.M.; Wentworth, W.E., Determination of molecular electron affinities using the electron capture detector in the pulse sampling mode at steady state, J. Phys. Chem., 1983, 87, 45. [all data]

Hughes, Lifschitz, et al., 1973
Hughes, B.M.; Lifschitz, C.; Tiernan, T.O., Electron affinities from endothermic negative-ion charge-transfer reactions. III. NO, NO₂, S₂, CS₂, Cl₂, Br₂, I₂, and C₂H, J. Chem. Phys., 1973, 59, 3162. [all data]

Oakes and Ellison, 1986
Oakes, J.M.; Ellison, G.B., Photoelectron spectroscopy of radical anions, Tetrahedron, 1986, 42, 6263. [all data]

Compton, Reinhardt, et al., 1975
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D., Collisional ionization of Na, K, and Cs by CO₂, COS, and CS₂: Molecular electron affinities, J. Chem. Phys., 1975, 63, 3821. [all data]

Kraus, Muller-Duysing, et al., 1961
Kraus, K.; Muller-Duysing, W.; Neuert, H., Uber Stosse Langsamer Negativer Ionen mit Ladungsubertragung, Z. Naturfor., 1961, 16A, 1385. [all data]

Fischer, Lochschmidt, et al., 1993
Fischer, I.; Lochschmidt, A.; Strobel, A.; Niedner-Schatteburg, G.; Muller-Dethlefs, K.; Bondybey, V.E., The non-resonant two-photon zero kinetic energy photoelectron spectrum of CS₂, Chem. Phys. Lett., 1993, 202, 542. [all data]

Wang, Reutt, et al., 1988
Wang, L.; Reutt, J.E.; Lee, Y.T.; Shirley, D.A., High resolution UV photoelectron spectroscopy of CO₂, COS, and CS₂ using supersonic molecular beams, J. Electron Spectrosc. Relat. Phenom., 1988, 47, 167. [all data]

Reineck, Wannberg, et al., 1984
Reineck, I.; Wannberg, B.; Veenhuizen, H.; Nohre, C.; Maripuu, R.; Norell, K.-E.; Mattsson, L.; Karlsson, L.; Siegbahn, K., Inelastic scattering and satellite fine structure in the high-resolution UV photoelectron spectrum of CS₂, J. Electron Spectrosc. Relat. Phenom., 1984, 34, 235. [all data]

Carnovale, Hitchcock, et al., 1982
Carnovale, F.; Hitchcock, A.P.; Cook, J.P.D.; Brion, C.E., Absolute dipole oscillator strengths for molecular and dissociative photoionization of Cos(10 - 50eV) and CS₂(10 - 40eV), Chem. Phys., 1982, 66, 249. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Potts and Fattahallah, 1980
Potts, A.W.; Fattahallah, G.H., High-resolution ultraviolet photoelectron spectroscopy of CO₂, COS and CS₂, J. Phys. B:, 1980, 13, 2545. [all data]

Miletic, Eres, et al., 1980
Miletic, M.; Eres, D.; Veljkovic, M.; Zmbov, K.F., Mass spectrometric study of the ionization and fragmentation of carbon disulphide by monoenergetic electron impact, Int. J. Mass Spectrom. Ion Phys., 1980, 35, 231. [all data]

Hubin-Franskin, Marmet, et al., 1980
Hubin-Franskin, M.-J.; Marmet, P.; Huard, D., Excitation and ionization of OCS and CS₂ by electron impact, Int. J. Mass Spectrom. Ion Phys., 1980, 33, 311. [all data]

Hubin-Franskin, Delwiche, et al., 1980
Hubin-Franskin, M.-J.; Delwiche, J.; Natalis, P.; Caprace, G.; Roy, D., On the photoelectron spectrum of CS₂, J. Electron Spectrosc. Relat. Phenom., 1980, 18, 295. [all data]

Trott, Blais, et al., 1979
Trott, W.M.; Blais, N.C.; Walters, E.A., Photoionization of carbon disulfide monomers and dimers in a supersonic molecular beam, J. Chem. Phys., 1979, 71, 1692. [all data]

Coppens, Reynaert, et al., 1979
Coppens, P.; Reynaert, J.C.; Drowart, J., Mass spectrometric study of the photoionization of carbon disulphide in the wavelength interval 125-60nm, J. Chem. Soc. Faraday Trans. 2, 1979, 75, 292. [all data]

Frey, Gotchev, et al., 1978
Frey, R.; Gotchev, B.; Peatman, W.B.; Pollak, H.; Schlag, E.W., Photoionization resonance study of the X(²π), A(²π), B(²Σ⁺) and C(²Σ⁺) states of CS₂⁺ and CO_S⁺, Int. J. Mass Spectrom. Ion Phys., 1978, 26, 137. [all data]

Drowart, Smets, et al., 1978
Drowart, J.; Smets, J.; Reynaert, J.C.; Coppens, P., Mass spectrometric study of the photoionization of inorganic gases vapours, Adv. Mass Spectrom., 1978, 7, 647. [all data]

Hildenbrand, 1975
Hildenbrand, D.L., Vertical ionization potential of the CF₂ radical, Chem. Phys. Lett., 1975, 32, 30. [all data]

Natalis, 1973
Natalis, P., Contribution a la spectroscopie photoelectronique. Effets de l'autoionisation dans less spectres photoelectroniques de molecules diatomiques et triatomiques, Acad. R. Belg. Mem. Cl. Sci. Collect. 8, 1973, 41, 1. [all data]

Frost, Lee, et al., 1973
Frost, D.C.; Lee, S.T.; McDowell, C.A., Photoelectron spectra of OCSe, SCSe, and CSe₂, J. Chem. Phys., 1973, 59, 5484. [all data]

Kroto and Suffolk, 1972
Kroto, H.W.; Suffolk, R.J., The photoelectron spectrum of an unstable species in the pyrolysis products of dimethyldisulphide, Chem. Phys. Lett., 1972, 15, 545. [all data]

Hildenbrand, 1972
Hildenbrand, D.L., Thermochemistry of the molecules CS and CS⁺, Chem. Phys. Lett., 1972, 15, 379. [all data]

Brundle and Turner, 1969
Brundle, C.R.; Turner, D.W., Studies on the photoionisation of the linear triatomic molecules: N₂O, COS, CS₂ and CO₂ using high-resolution photoelectron spectroscopy, Intern. J. Mass Spectrom. Ion Phys., 1969, 2, 195. [all data]

Momigny and Delwiche, 1968
Momigny, J.; Delwiche, J., Photoionisation et impact electronique dans le disulfure de carbone, J. Chim. Phys., 1968, 65, 1213. [all data]

Eland and Danby, 1968
Eland, J.H.D.; Danby, C.J., Photoelectron spectra and ionic structure of carbon dioxide, carbon disulphide and sulphur dioxide, Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 111. [all data]

Dibeler and Walker, 1967
Dibeler, V.H.; Walker, J.A., Mass spectrometric study of the photoionization of small polyatomic molecules, Advan. Mass Spectrom., 1967, 4, 767. [all data]

Tanaka, Jursa, et al., 1960
Tanaka, Y.; Jursa, A.S.; LeBlanc, F.J., Higher ionization potentials of linear triatomic molecules. II. CS₂, COS, and N₂O, J. Chem. Phys., 1960, 32, 1205. [all data]

Price and Simpson, 1938
Price, W.C.; Simpson, D.M., The absorption spectra of sulphur dioxide and carbon disulphide in the vacuum ultra-violet, Proc. Roy. Soc. (London), 1938, A165, 272. [all data]

Schweig and Thiel, 1974
Schweig, A.; Thiel, W., Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds, Mol. Phys., 1974, 27, 265. [all data]

Potts and Williams, 1974
Potts, A.W.; Williams, T.A., The observation of "forbidden" transitions in He II photoelectron spectra, J. Electron Spectrosc. Relat. Phenom., 1974, 3, 3. [all data]

Ferreira and Fronteira_e_Silva, 1970
Ferreira, M.A.A.; Fronteira_e_Silva, M.E., Ionizacao e dissociacao do di-sulfureto decarbono por impacto electonico, Rev. Port. Quim., 1970, 12, 70. [all data]

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

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

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

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

Miller and Bruno, 2003
Miller, K.E.; Bruno, T.J., Isothermal Kováts retention indices of sulfur compounds on a poly(5% diphenyl-95% dimethylsiloxane) stationary phase, J. Chromatogr. A, 2003, 1007, 1-2, 117-125, https://doi.org/10.1016/S0021-9673(03)00958-0 . [all data]

Rudenko, Mal'tsev, et al., 1985
Rudenko, G.I.; Mal'tsev, V.V.; Studenichnik, V.N.; Ustinov, E.P., Gas chromatographic analysis of volatile substances evolved into atmosphere from polymer materials, Zh. Anal. Khim., 1985, 40, 6, 1119-1127. [all data]

Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Insausti, Goñi, et al., 2005
Insausti, K.; Goñi, V.; Petri, E.; Gorraiz, C.; Beriain, M.J., Effect of weight at slaughter on the volatile compounds of cooked beef from Spanish cattle breeds, Meat Sci., 2005, 70, 1, 83-90, https://doi.org/10.1016/j.meatsci.2004.12.003 . [all data]

Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Hierro, E., Two-fibre solid-phase microextraction combined with gas chromatography-mass spectrometry for the analysis of volatile aroma compounds in cooked pork, J. Chromatogr. A, 2000, 905, 1-2, 233-240, https://doi.org/10.1016/S0021-9673(00)00990-0 . [all data]

Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C., Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768 . [all data]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [all data]

Bianchi, Cantoni, et al., 2007
Bianchi, F.; Cantoni, C.; Careri, M.; Chiesa, L.; Musci, M.; Pinna, A., Characterization of the aromatic profile for the authentication and differentiation of typical Italian dry-sausages, Talanta, 2007, 72, 4, 1552-1563, https://doi.org/10.1016/j.talanta.2007.02.019 . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S., The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry, Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679 . [all data]

Whitfield, Shea, et al., 1981
Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J., Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands, Aust. J. Bot., 1981, 29, 2, 195-208, https://doi.org/10.1071/BT9810195 . [all data]

Safa and Hadjmohannadi, 2005
Safa, F.; Hadjmohannadi, M.R., Use of topological indices of organic sulfur compounds in quantitative structure-retention relationship study, QSAR Comb. Sci., 2005, 24, 9, 1026-1032, https://doi.org/10.1002/qsar.200530008 . [all data]

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A., HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge, Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8 . [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Yang, Wang, et al., 2003
Yang, Y.-T.; Wang, Z.; Han. J.-H.; Tian, H.-P.; Yang, H.-Y., Determination of sulfur compounds in gasoline fraction of microreactor products by gas chromatography - Atomic emission detector, Petrochemical Technology (Shiyou Huagong), 2003, 32, 11, 995-998. [all data]

Yang, Yang, et al., 2003
Yang, Y.T.; Yang, H.Y.; Zong, B.N.; Lu, W.Z., determination and distribution of sulfur compounds in gasoline by gas chromatography-atomic emission detector, Chinise J. Anal. Chem. (Fenxi Huaxue), 2003, 31, 10, 1153-1158. [all data]

Pérès, Begnaud, et al., 2002
Pérès, C.; Begnaud, F.; Berdagué, J.-L., Fast characterization of Camembert cheeses by static headspace-mass spectrometry, Sens. Actuators, 2002, 87, 3, 491-497, https://doi.org/10.1016/S0925-4005(02)00298-8 . [all data]

García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J., Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham, Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x . [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]

del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R., Comparison of headspace volatiles from winged beans and soybeans, J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015 . [all data]

Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R., Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss, Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]

Pugliese, Sirtori, et al., 2009
Pugliese, C.; Sirtori, F.; Ruiz, J.; Martin, D.; Parenti, S.; Franci, O., Effect of pasture on chestnut or acorn on fatty acid composition and aromatic profile of fat of China Senece dry-cured ham, Gracas y Aceites, 2009, 60, 3, 271-276, https://doi.org/10.3989/gya.130208 . [all data]

Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L., Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE), Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027 . [all data]

Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H., Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques, Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x . [all data]

Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J., Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham, J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826 . [all data]

Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J., Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME), Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007 . [all data]

Machiels, Istasse, et al., 2004
Machiels, D.; Istasse, L.; van Ruth, S.M., Gas chromatography-olfactometry analysis of beef meat originating from differently fed Belgian Blue, Limousin and Aberdeen Angus bulls, Food Chem., 2004, 86, 3, 377-383, https://doi.org/10.1016/j.foodchem.2003.09.011 . [all data]

Machiels and Istasse, 2003
Machiels, D.; Istasse, L., Evaluation of two commercial solid-phase microextraction fibres for the analysis of target aroma compounds in cooked beef meat, Talanta, 2003, 61, 4, 529-537, https://doi.org/10.1016/S0039-9140(03)00319-9 . [all data]

Poligne, Collignan, et al., 2002
Poligne, I.; Collignan, A.; Trystram, G., Effects of salting, drying, cooking, and smoking operations on volatile compound formation and collor patterns in pork, Food Eng. Physical Properties, 2002, 67, 8, 2976-2986. [all data]

Luo and Agnew, 2001
Luo, J.; Agnew, M.P., Gas characteristics before and after biofiltration treating odorous emissions from animal rendering processes, Environ. Technol., 2001, 22, 9, 1091-1103, https://doi.org/10.1080/09593332208618220 . [all data]

Zenkevich, 2001
Zenkevich, I.G., Encyclopedia of Chromatography. Derivatization of Amines, Amino Acids, Amides and Imides for GC Analysis, Marcel Dekker, Inc, New York - Basel, 2001, 224. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technical_series₁997-01-01₁.pdf. [all data]

Nedjma and Maujean, 1995
Nedjma, M.; Maujean, A., Improved chromatographic analysis of volatile sulfur compounds by the static headspace technique on water-alcohol solutions and brandies with chemiluminescence detection, J. Chromatogr. A, 1995, 704, 2, 495-502, https://doi.org/10.1016/0021-9673(95)00218-C . [all data]

Zenkevich, Korolenko, et al., 1995
Zenkevich, I.G.; Korolenko, L.I.; Khralenkova, N.B., Desorption with solvent vapor as a method of sample preparation in the sorption preconcentration of organic-compounds from the air of a working area and from industrial-waste gases, J. Appl. Chem. USSR (Engl. Transl.), 1995, 50, 10, 937-944. [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F . [all data]

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

Symbols used in this document:

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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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Carbon disulfide

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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

Gas phase ion energetics data

Electron affinity determinations

Ionization energy determinations

Appearance energy determinations

Ion clustering data

Clustering reactions

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