Carbon disulfide

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Reaction thermochemistry data

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Chlorine anion + Carbon disulfide = (Chlorine anion • Carbon disulfide)

By formula: Cl- + CS2 = (Cl- • CS2)

Quantity Value Units Method Reference Comment
Δr36.8 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Δr49.0 ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M
Quantity Value Units Method Reference Comment
Δr58.2J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Δr84.J/mol*KN/ALarson and McMahon, 1985gas phase; switching reaction,Thermochemical ladder(Cl-)t-C4H9OH, Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr19. ± 9.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B
Δr24. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B,M

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

By formula: CS2- + CS2 = (CS2- • CS2)

Quantity Value Units Method Reference Comment
Δr91.6 ± 6.3kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Δr18. ± 4.6kJ/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δr17.2 ± 2.5kJ/molLPESBowen and Eaton, 1988gas phase; B
Quantity Value Units Method Reference Comment
Δr130.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr54. ± 10.kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr19.2 ± 2.9kJ/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B
Δr27. ± 5.9kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B,M
Quantity Value Units Method Reference Comment
Δr88.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr0. ± 14.kJ/molTDAsHiraoka, Fujimaki, et al., 1994gas phase; B

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

By formula: S2+ + CS2 = (S2+ • CS2)

Quantity Value Units Method Reference Comment
Δr129.kJ/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Δr120.kJ/molPIOno, Linn, et al., 1981gas phase; M
Δr91.6kJ/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; equilibrium uncertain; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Δr71.5J/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; equilibrium uncertain; M

(Fluorine anion • 2Carbon disulfide) + Carbon disulfide = (Fluorine anion • 3Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr23. ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B,M
Quantity Value Units Method Reference Comment
Δr71.J/mol*KN/AHiraoka, Fujimaki, et al., 1993gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr1. ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B

Fluorine anion + Carbon disulfide = (Fluorine anion • Carbon disulfide)

By formula: F- + CS2 = (F- • CS2)

Quantity Value Units Method Reference Comment
Δr146. ± 6.3kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Δr131. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B
Quantity Value Units Method Reference Comment
Δr118.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr111. ± 6.3kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B
Δr101. ± 8.4kJ/molIMRELarson and McMahon, 1985gas phase; B

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

By formula: CS2+ + CS2 = (CS2+ • CS2)

Quantity Value Units Method Reference Comment
Δr104.kJ/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Δr91.6kJ/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M
Δr73.2kJ/molPIOno, Linn, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Δr91.6J/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr21.kJ/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M
Δr16.kJ/molPIOno, Linn, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr71.J/mol*KN/AHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M

(Chlorine anion • 3Carbon disulfide) + Carbon disulfide = (Chlorine anion • 4Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr28. ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B
Quantity Value Units Method Reference Comment
Δr-0.4 ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; Estimated entropy; single temperature measurement; B

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

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

Quantity Value Units Method Reference Comment
Δr38.kJ/molPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M
Δr46.4kJ/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M
Quantity Value Units Method Reference Comment
Δr60.7J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M
Δr110.J/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase; M

(Chlorine anion • 2Carbon disulfide) + Carbon disulfide = (Chlorine anion • 3Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr30.1 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr89.1J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr3. ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Chlorine anion • Carbon disulfide) + Carbon disulfide = (Chlorine anion • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr32.2 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr66.1J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr13. ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Fluorine anion • Carbon disulfide) + Carbon disulfide = (Fluorine anion • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr28.0 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr64.0J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr8.8 ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr28.5 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr90.8J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr0.8 ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

(Bromine anion • Carbon disulfide) + Carbon disulfide = (Bromine anion • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr30.5 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr85.4J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr5.0 ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

Iodide + Carbon disulfide = (Iodide • Carbon disulfide)

By formula: I- + CS2 = (I- • CS2)

Quantity Value Units Method Reference Comment
Δr31.0 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr69.9J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr10. ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

Bromine anion + Carbon disulfide = (Bromine anion • Carbon disulfide)

By formula: Br- + CS2 = (Br- • CS2)

Quantity Value Units Method Reference Comment
Δr34.7 ± 0.84kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B,M
Quantity Value Units Method Reference Comment
Δr54.4J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993gas phase; M
Quantity Value Units Method Reference Comment
Δr18. ± 4.2kJ/molTDAsHiraoka, Fujimaki, et al., 1993gas phase; B

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

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

Quantity Value Units Method Reference Comment
Δr23.kJ/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr71.J/mol*KN/AHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr26.kJ/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
Δr84.J/mol*KN/AHiraoka, Fujimaki, et al., 1994, 2gas phase; Entropy change calculated or estimated; M

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

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

Quantity Value Units Method Reference Comment
Δr27.kJ/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Δr18.kJ/molPIOno, Linn, et al., 1980gas phase; M
Quantity Value Units Method Reference Comment
Δr88.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M

Methyl cation + Carbon disulfide = (Methyl cation • Carbon disulfide)

By formula: CH3+ + CS2 = (CH3+ • CS2)

Quantity Value Units Method Reference Comment
Δr252.kJ/molPHPMSMcMahon, Heinis, et al., 1988gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 202. kJ/mol; Foster, Williamson, et al., 1974; M

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

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

Quantity Value Units Method Reference Comment
Δr10. ± 28.kJ/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

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

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

Quantity Value Units Method Reference Comment
Δr8. ± 28.kJ/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

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

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

Quantity Value Units Method Reference Comment
Δr-97.91kJ/molN/ATsukuda, Hirose, et al., 1997gas phase; EA given is Vertical Detachment Energy. Affinity is difference from next lower Vertical De; B

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

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

Quantity Value Units Method Reference Comment
Δr35.kJ/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr96.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr20.kJ/molPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr59.8J/mol*KPHPMSHiraoka, Fujimaki, et al., 1993, 2gas phase; M

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

By formula: S2- + CS2 = (S2- • CS2)

Quantity Value Units Method Reference Comment
Δr79.9kJ/molPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M
Quantity Value Units Method Reference Comment
Δr120.J/mol*KPHPMSHiraoka, Fujimaki, et al., 1994, 2gas phase; M

C6H6+ + Carbon disulfide = (C6H6+ • Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr51.0kJ/molPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M
Quantity Value Units Method Reference Comment
Δr100.J/mol*KPHPMSMeot-Ner (Mautner), Hamlet, et al., 1978gas phase; M

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

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

Quantity Value Units Method Reference Comment
Δr11.kJ/molPIOno, Linn, et al., 1980gas phase; M

(Iron ion (1+) • Carbon disulfide) + Carbon disulfide = (Iron ion (1+) • 2Carbon disulfide)

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

Quantity Value Units Method Reference Comment
Δr188. ± 5.9kJ/molCIDTRodgers and Armentrout, 2000RCD

CS+ + Carbon disulfide = (CS+ • Carbon disulfide)

By formula: CS+ + CS2 = (CS+ • CS2)

Quantity Value Units Method Reference Comment
Δr151.kJ/molPIOno, Linn, et al., 1981gas phase; M

Sulfur cation + Carbon disulfide = (Sulfur cation • Carbon disulfide)

By formula: S+ + CS2 = (S+ • CS2)

Quantity Value Units Method Reference Comment
Δr166.kJ/molPIGress, Linn, et al., 1980gas phase; M

trithiocarbonic acid = Carbon disulfide + Hydrogen sulfide

By formula: CH2S3 = CS2 + H2S

Quantity Value Units Method Reference Comment
Δr44. ± 1.kJ/molCmGattow and Krebes, 1963liquid phase; ALS

Iron ion (1+) + Carbon disulfide = (Iron ion (1+) • Carbon disulfide)

By formula: Fe+ + CS2 = (Fe+ • CS2)

Quantity Value Units Method Reference Comment
Δr166. ± 5.0kJ/molCIDTRodgers and Armentrout, 2000RCD

Vanadium ion (1+) + Carbon disulfide = (Vanadium ion (1+) • Carbon disulfide)

By formula: V+ + CS2 = (V+ • CS2)

Quantity Value Units Method Reference Comment
Δr114. ± 13.kJ/molCIDTSchroeder, Kretzschmar, et al., 2003RCD

Molybdenum ion (1+) + Carbon disulfide = (Molybdenum ion (1+) • Carbon disulfide)

By formula: Mo+ + CS2 = (Mo+ • CS2)

Quantity Value Units Method Reference Comment
Δr67. ± 13.kJ/molCIDTSchroeder, Kretzschmar, et al., 2003RCD

IR Spectrum

Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Spectrum

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

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Gas Chromatography

Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Kovats' RI, non-polar column, isothermal

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

Kovats' RI, non-polar column, temperature ramp

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

Kovats' RI, polar column, temperature ramp

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

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

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

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

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

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

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

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

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

Normal alkane RI, non-polar column, isothermal

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

Normal alkane RI, non-polar column, temperature ramp

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

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

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

Normal alkane RI, polar column, temperature ramp

View large format table.

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

Normal alkane RI, polar column, custom temperature program

View large format table.

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

References

Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Larson and McMahon, 1985
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Hiraoka, Fujimaki, et al., 1994, 2
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Bramston-Cook, 2013
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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]

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Pérès, Begnaud, et al., 2002
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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
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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
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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
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Flanagan, Streete, et al., 1997
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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
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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

Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References