Diethyl sulfide

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Gas phase ion energetics data

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

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

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)8.42 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)204.8kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity197.7kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.41CTSAloisi, Santini, et al., 1974LLK
8.42 ± 0.01PIAkopyan, Sergeev, et al., 1970RDSH
8.430 ± 0.005PIWatanabe, Nakayama, et al., 1962RDSH
8.4PEAue and Bowers, 1979Vertical value; LLK
8.46PEWeiner and Lattman, 1978Vertical value; LLK
8.44PEWagner and Bock, 1974Vertical value; LLK
8.44PEBock, Wagner, et al., 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHS+15.3 ± 0.5?EIHobrock and Kiser, 1963RDSH
CH2S+11.75 ± 0.03C2H4+CH4PIAkopyan, Sergeev, et al., 1970RDSH
CH2S+12.5 ± 0.3?EIHobrock and Kiser, 1963RDSH
CH3S+12.00 ± 0.05C2H4+CH3PIAkopyan, Sergeev, et al., 1970RDSH
CH3S+12.3 ± 0.1?EIKeyes and Harrson, 1968RDSH
C2H2+21.7 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H3+16.7 ± 0.5?EIHobrock and Kiser, 1963RDSH
C2H3S+14.6 ± 0.4?EIHobrock and Kiser, 1963RDSH
C2H4+14.5 ± 0.3?EIGal'perin, Bogolyubov, et al., 1969RDSH
C2H4S+9.9 ± 0.3C2H6PIAkopyan, Sergeev, et al., 1970RDSH
C2H4S+11.2 ± 0.2?EIHobrock and Kiser, 1963RDSH
C2H5+14.5 ± 0.3?EIHobrock and Kiser, 1963RDSH
C2H5S+10.23 ± 0.03C2H5PIAkopyan, Sergeev, et al., 1970RDSH
C2H5S+11.05C2H5EIGowenlock, Kay, et al., 1963RDSH
C2H6S+9.90 ± 0.03C2H4PIAkopyan, Sergeev, et al., 1970RDSH
C2H6S+10.4 ± 0.2?EIHobrock and Kiser, 1963RDSH
C3H5+12.41 ± 0.05CH3SH+HPIAkopyan, Sergeev, et al., 1970RDSH
C3H7S+10.7 ± 0.15CH3EIBroer and Weringa, 1980LLK
C3H7S+10.16 ± 0.05CH3PIAkopyan, Sergeev, et al., 1970RDSH
C3H7S+10.65CH3EIGowenlock, Kay, et al., 1963RDSH
C4H9S+10.2 ± 0.1HPIAkopyan, Sergeev, et al., 1970RDSH

Gas Chromatography

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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-5100.708.5Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-5120.717.9Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-560.700.4Miller and Bruno, 200330. m/0.25 mm/0.1 μm
CapillaryDB-580.703.7Miller and Bruno, 200330. m/0.25 mm/0.1 μm
PackedApiezon M130.698.Garbuzov, Misharina, et al., 1985He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m
PackedSE-30110.698.Möckel and Zolg, 1977Chromosorb W AW (80-100 mesh); Column length: 2. m
PackedApiezon M130.698.Golovnya, Garbuzov, et al., 1976N2, Chromosorb W; Column length: 2.1 m
PackedApiezon M130.699.Golovnya and Garbuzov, 1974N2, Chromosorb W; Column length: 2.1 m
CapillaryApiezon L120.696.Agr, Tesaric, et al., 1973 
CapillarySqualane120.695.Agr, Tesaric, et al., 1973 
CapillarySqualane86.692.Agr, Tesaric, et al., 1973 
CapillarySqualane120.695.Agrawal, Tesarík, et al., 1972N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
CapillarySqualane86.692.Agrawal, Tesarík, et al., 1972N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
CapillaryApiezon L120.696.Agrawal, Tesarík, et al., 1972N2; Column length: 100. m; Column diameter: 0.3 mm
PackedDC-200120.693.Golovnya and Arsen'ev, 1970Column length: 1.5 m
PackedDC-20060.693.Golovnya and Arsen'ev, 1970Column length: 1.5 m
PackedSE-30130.692.Golovnya and Arsen'ev, 1970Column length: 1.5 m
PackedSE-3060.692.Golovnya and Arsen'ev, 1970Column length: 1.5 m
PackedApiezon L110.694.Martinu and Janák, 1970 
PackedApiezon L130.698.Martinu and Janák, 1970 
PackedApiezon L150.704.Martinu and Janák, 1970 

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M110.903.Möckel and Zolg, 1977He, Chromosorb W AW (80-100 mesh); Column length: 6. m
PackedPolyethylene Glycol130.927.Golovnya, Garbuzov, et al., 1976N2, Chromosorb W; Column length: 2.1 m

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 groups100.708.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups60.700.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
CapillaryPolydimethyl siloxane with 5 % Ph groups80.704.Safa and Hadjmohannadi, 200530. m/0.25 mm/0.10 μm, Nitrogen
PackedApiezon L100.720.Kavan, 1973Column length: 3.2 m

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPONA704.Yang, Wang, et al., 200450. m/0.20 mm/0.50 μm, N2, 2. K/min; Tstart: 35. C; Tend: 170. C
CapillaryDB-5699.Savel'eva, Zenkevich, et al., 200325. m/0.20 mm/0.33 μm, Helium, 40. C @ 1. min, 5. K/min, 270. C @ 15. min
CapillaryDB-5699.Savel'eva, Zenkevich, et al., 200325. m/0.20 mm/0.33 μm, Helium, 40. C @ 1. min, 5. K/min, 270. C @ 15. min
CapillaryOV-101690.Egolf and Jurs, 19932. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillarySE-30690.Vinogradov, 2004Program: not specified
CapillaryCP Sil 5 CB698.Gijs, Piraprez, et al., 200050. m/0.32 mm/1.2 μm, He; Program: 33C (16.5min) => 2C/min => 160C => 20C/min => 200C (9min)
CapillaryPolydimethyl siloxanes693.Zenkevich, 1998Program: not specified
CapillarySE-52704.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.683.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.685.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M904.Egolf and Jurs, 19932. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M895.Shibamoto and Russell, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M899.Shibamoto and Russell, 19771. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M895.Shibamoto and Russell, 1976N2, 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C
CapillaryCarbowax 20M899.Shibamoto and Russell, 1976N2, 1. K/min; Column length: 100. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 170. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax903.Narain, Galvao, et al., 200730. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min)
CapillaryCarbowax 20M904.Vinogradov, 2004Program: not specified

References

Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes

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

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]

Aloisi, Santini, et al., 1974
Aloisi, G.G.; Santini, S.; Sorriso, S., Molecular complexes of substituted diphenyl sulphides with π acceptors. Charge transfer spectra and ionization potentials of the donors, J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1908. [all data]

Akopyan, Sergeev, et al., 1970
Akopyan, M.E.; Sergeev, Yu.L.; Vilesov, F.I., Photionization in vapors of aliphatic sulfides. I. Methymercaptan, dimethyl and diethyl sulfides, High Energy Chem., 1970, 4, 265, In original 305. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T., Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements in Ions Chemistry,, ed. M.T. Bowers, 1979. [all data]

Weiner and Lattman, 1978
Weiner, M.A.; Lattman, M., Ultraviolet photoelectron spectra of some Cr(CO)5L complexes containing organosulfide and organophosphine ligands, Inorg. Chem., 1978, 17, 1084. [all data]

Wagner and Bock, 1974
Wagner, G.; Bock, H., Photoelektronenspektren und molekuleigenschaften, XXVI. Die delokalisation von schwefel-elektronenpaaren in alkylsulfiden und -disulfiden, Chem. Ber., 1974, 107, 68. [all data]

Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J., Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH3S-substituierten aromaten, Chem. Ber., 1972, 105, 3850. [all data]

Hobrock and Kiser, 1963
Hobrock, B.G.; Kiser, R.W., Electron impact investigations of sulfur compounds. III. 2-Thiapropane, 3-thiapentane, and 2,3,4-trithiapentane, J. Phys. Chem., 1963, 67, 1283. [all data]

Keyes and Harrson, 1968
Keyes, B.G.; Harrson, A.G., The fragmentation of aliphatic sulfur compounds by electron impact, J. Am. Chem. Soc., 1968, 90, 5671. [all data]

Gal'perin, Bogolyubov, et al., 1969
Gal'perin, Ya.V.; Bogolyubov, G.M.; Grishin, N.N.; Petrov, A.A., Organic derivatives of elements of groups V and VI. VI. Mass spectra of compounds with S-S bonds, Zh. Obshch. Khim., 1969, 39, 1599, In original 1567. [all data]

Gowenlock, Kay, et al., 1963
Gowenlock, B.G.; Kay, J.; Majer, J.R., Electron impact studies of some sulphides and disulphides, J. Chem. Soc. Faraday Trans., 1963, 59, 2463. [all data]

Broer and Weringa, 1980
Broer, W.J.; Weringa, W.D., Potential energy profiles for the unimolecular reactions of [C3H7S]+ ions, Org. Mass Spectrom., 1980, 15, 229. [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]

Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V., Gas chromatographic retention indices for sulphur(II)-containing organic substances, J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]

Möckel and Zolg, 1977
Möckel, H.J.; Zolg, M., Retentionsindices n-aliphatischer Schwefelverbindungen, Z. Anal. Chem., 1977, 285, 1, 45-46, https://doi.org/10.1007/BF00446017 . [all data]

Golovnya, Garbuzov, et al., 1976
Golovnya, R.V.; Garbuzov, V.G.; Misharina, T.A., Gas chromatographic characteristics of sulfur compounds. 2. Normal sulfides, Izv. Akad. Nauk Kaz. SSR Ser. Khim., 1976, 10, 2266-2270. [all data]

Golovnya and Garbuzov, 1974
Golovnya, R.V.; Garbuzov, V.G., Effect of heteroatom in aliphatic sulfur- and oxygen-containing compounds on the values of the retention indices in gas chromatography, Izv. Akad. Nauk SSSR Ser. Khim., 1974, 7, 1519-1521. [all data]

Agr, Tesaric, et al., 1973
Agr, X.X.; Tesaric, K.; Janak, J., Will be entered later, J. Chromatogr., 1973, 95, 207-215. [all data]

Agrawal, Tesarík, et al., 1972
Agrawal, B.B.; Tesarík, K.; Janák, J., Gas chromatographic characterization of sulphur compounds in the 93-162° gasoline cut from Romashkino crude oil using Kováts retention indices, J. Chromatogr., 1972, 65, 1, 207-215, https://doi.org/10.1016/S0021-9673(00)86933-2 . [all data]

Golovnya and Arsen'ev, 1970
Golovnya, R.V.; Arsen'ev, Y.N., Gas-chromatographic method for the analysis of n-mercaptans and symmetrical n-sulfides and n-disulfides, Bull. Acad. Sci. USSR, Div. Chem. Sci. (Engl. Transl.), 1970, 6, 4, 1316-1318, https://doi.org/10.1007/BF00852683 . [all data]

Martinu and Janák, 1970
Martinu, V.; Janák, J., Gas-liquid chromatographic retention data of some aliphatic and alicyclic sulphides, J. Chromatogr., 1970, 52, 69-75, https://doi.org/10.1016/S0021-9673(01)96545-8 . [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]

Kavan, 1973
Kavan, I., Analysis of odorants, Sbornik Praci UVP, 1973, 26, 128-144. [all data]

Yang, Wang, et al., 2004
Yang, Y.; Wang, Z.; Zong, B.; Yang, H., Determination of sulfur compounds in fluid catalytic cracking gasoline by gas chromatography with a sulfur chemiluminiscence detector, Chin. J. Chromatogr., 2004, 22, 3, 216-219. [all data]

Savel'eva, Zenkevich, et al., 2003
Savel'eva, E.I.; Zenkevich, I.G.; Radilov, A.S., Identification the Products of Chemical Neutralization of O-Isobutyl-S-(2-diethylaminoethyl)methylthiophosphonate in the Composition of Bitumen-Salt Matrices, Zh. Anal. Khim. (Rus.), 2003, 58, 2, 135-145. [all data]

Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C., Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds, Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Gijs, Piraprez, et al., 2000
Gijs, L.; Piraprez, G.; Perpète, P.; Spinnler, E.; Collin, S., Retention of sulfur flavours by food matrix and determination of sensorial data independent of the medium composition, Food Chem., 2000, 69, 3, 319-330, https://doi.org/10.1016/S0956-7135(99)00111-5 . [all data]

Zenkevich, 1998
Zenkevich, I.G., The Principle of Structural Analogy in the Calculation of Gas Chromatographic Retention Indices using Physico-Chemical Constants of Organic Compounds, Zh. Anal. Khim. (Rus.), 1998, 53, 1, 43-49. [all data]

van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N., Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety, J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Shibamoto and Russell, 1977
Shibamoto, T.; Russell, G.F., A study of the volatiles isolated from a D-glucose-hydrogen sulfide-ammonia model system, J. Agric. Food Chem., 1977, 25, 1, 109-112, https://doi.org/10.1021/jf60209a054 . [all data]

Shibamoto and Russell, 1976
Shibamoto, T.; Russell, G.F., Study of meat volatiles associated with aroma generated in a D-glucose-hydrogen sulfide-ammonia model system, J. Agric. Food Chem., 1976, 24, 4, 843-846, https://doi.org/10.1021/jf60206a047 . [all data]

Narain, Galvao, et al., 2007
Narain, N.; Galvao, M. deS.; Ferreira, D.DaS.; Navarro, D.M.A.F., Flavor biogeneration in Mangaba (Hancornia speciosa Gomes) fruit, BioEng. Campinas, 2007, 1, 1, 25-31. [all data]


Notes

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