Butyl sulfide
- Formula: C8H18S
- Molecular weight: 146.294
- IUPAC Standard InChIKey: HTIRHQRTDBPHNZ-UHFFFAOYSA-N
- CAS Registry Number: 544-40-1
- 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: Di-n-butyl sulfide; Butane, 1,1'-thiobis-; n-Butyl sulfide; n-Dibutyl sulfide; Butyl monosulfide; Butylthiobutane; Dibutyl sulfide; Dibutyl thioether; Thiononane-5; 5-Thianonane; 1,1'-Thiobisbutane; Dibutyl sulphide; (n-C4H9)2S; Thianonane-5; Sulfide, n-butyl-; NSC 8460
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Gas phase thermochemistry data
Go To: Top, IR Spectrum, UV/Visible 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: Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -167.4 | kJ/mol | N/A | Sunner, 1963 | Value computed using ΔfHliquid° value of -220.7±1.9 kj/mol from Sunner, 1963 and ΔvapH° value of 53.35 kj/mol from missing citation. |
ΔfH°gas | -167.2 | kJ/mol | N/A | McCullough, Finke, et al., 1961 | Value computed using ΔfHliquid° value of -220.5±1.5 kj/mol from McCullough, Finke, et al., 1961 and ΔvapH° value of 53.35 kj/mol from missing citation. |
IR Spectrum
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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: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | WYANDOTTE CHEMICALS CORP. |
Source reference | COBLENTZ NO. 05951 |
Date | Not specified, most likely prior to 1970 |
Name(s) | dibutyl sulfide 1-(butylsulfanyl)butane |
State | LIQUID (NEAT) |
Instrument | BAIRD (GRATING) |
Instrument parameters | NaCl PRISM |
Path length | 0.01 CM |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Boiling point | 186-188 C |
UV/Visible spectrum
Go To: Top, Gas phase 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.
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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Download spectrum in JCAMP-DX format.
Source | Bol'shakov, et al., 1969 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 20118 |
Instrument | unknown |
Boiling point | 185 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, IR Spectrum, UV/Visible spectrum, 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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-5 | 100. | 1084.4 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 120. | 1088.5 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 60. | 1078.1 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 80. | 1081.3 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Packed | Apiezon M | 130. | 1081. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
Packed | SE-30 | 80. | 1059. | Zotov, Golovkin, et al., 1981 | N2, Chromaton N-AWHMDS; Column length: 1.8 m |
Packed | SE-30 | 110. | 1077. | Möckel and Zolg, 1977 | Chromosorb W AW (80-100 mesh); Column length: 2. m |
Packed | Apiezon M | 130. | 1081. | Golovnya, Garbuzov, et al., 1976 | N2, Chromosorb W; Column length: 2.1 m |
Packed | Apiezon M | 130. | 1082. | Golovnya and Garbuzov, 1974 | N2, Chromosorb W; Column length: 2.1 m |
Capillary | Apiezon L | 120. | 1084. | Agr, Tesaric, et al., 1973 | |
Capillary | Squalane | 120. | 1070. | Agr, Tesaric, et al., 1973 | |
Capillary | Squalane | 86. | 1064. | Agr, Tesaric, et al., 1973 | |
Capillary | Squalane | 120. | 1070. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 86. | 1064. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Apiezon L | 120. | 1084. | Agrawal, Tesarík, et al., 1972 | N2; Column length: 100. m; Column diameter: 0.3 mm |
Capillary | E-301 | 150. | 1077. | Kudryavtseva, Fatalieva, et al., 1972 | |
Packed | DC-200 | 120. | 1081. | Golovnya and Arsen'ev, 1970 | Column length: 1.5 m |
Packed | SE-30 | 130. | 1081. | Golovnya and Arsen'ev, 1970 | Column length: 1.5 m |
Packed | Apiezon L | 110. | 1082. | Martinu and Janák, 1970 | |
Packed | Apiezon L | 130. | 1086. | Martinu and Janák, 1970 | |
Packed | Apiezon L | 150. | 1092. | Martinu and Janák, 1970 | |
Packed | Squalane | 100. | 1060.0 | Evans and Smith, 1967 | H2/N2=3/1, Celite; Column length: 2. m |
Packed | Squalane | 100. | 1062. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.2 m |
Packed | Squalane | 65. | 1056. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.2 m |
Packed | Squalane | 78. | 1057. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.2 m |
Packed | Squalane | 100. | 1058. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.5 m |
Packed | Squalane | 65. | 1053. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.5 m |
Packed | Squalane | 78. | 1056. | Adlard, Evans, et al., 1965 | Ar, Celite; Column length: 1.5 m |
Packed | Squalane | 100. | 1060. | Adlard, Evans, et al., 1965 | Mixture, Celite; Column length: 1.5 m |
Packed | Squalane | 65. | 1055. | Adlard, Evans, et al., 1965 | Mixture, Celite; Column length: 1.5 m |
Packed | Squalane | 78. | 1057. | Adlard, Evans, et al., 1965 | Mixture, Celite; Column length: 1.5 m |
Packed | Squalane | 100. | 1079. | Adlard, Evans, et al., 1965 | N2, Celite; Column length: 0.9 m |
Packed | Squalane | 65. | 1072. | Adlard, Evans, et al., 1965 | N2, Celite; Column length: 0.9 m |
Packed | Squalane | 78. | 1075. | Adlard, Evans, et al., 1965 | N2, Celite; Column length: 0.9 m |
Packed | Squalane | 100. | 1060. | Adlard, Evans, et al., 1965 | He, Celite; Column length: 1. m |
Packed | Squalane | 65. | 1055. | Adlard, Evans, et al., 1965 | He, Celite; Column length: 1. m |
Packed | Squalane | 78. | 1057. | Adlard, Evans, et al., 1965 | He, Celite; Column length: 1. m |
Packed | Squalane | 100. | 1066. | Adlard, Evans, et al., 1965 | N2, Sterchamol; Column length: 4. m |
Packed | Squalane | 65. | 1060. | Adlard, Evans, et al., 1965 | N2, Sterchamol; Column length: 4. m |
Packed | Squalane | 78. | 1062. | Adlard, Evans, et al., 1965 | N2, Sterchamol; Column length: 4. m |
Packed | Squalane | 100. | 1056. | Adlard, Evans, et al., 1965 | H2, Celite; Column length: 0.9 m |
Packed | Squalane | 65. | 1050. | Adlard, Evans, et al., 1965 | H2, Celite; Column length: 0.9 m |
Packed | Squalane | 78. | 1053. | Adlard, Evans, et al., 1965 | H2, Celite; Column length: 0.9 m |
Packed | Squalane | 100. | 1061. | Adlard, Evans, et al., 1965 | |
Packed | Squalane | 65. | 1056. | Adlard, Evans, et al., 1965 | |
Packed | Squalane | 78. | 1058. | Adlard, Evans, et al., 1965 |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 93. | 1270.6 | Morishita, Murakita, et al., 1985 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 80. | 1256.6 | Morishita, Murakita, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Packed | Carbowax 20M | 110. | 1286. | Möckel and Zolg, 1977 | He, Chromosorb W AW (80-100 mesh); Column length: 6. m |
Packed | Polyethylene Glycol | 130. | 1289. | Golovnya, Garbuzov, et al., 1976 | N2, Chromosorb W; Column length: 2.1 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1057. | Zotov, Golovkin, et al., 1981 | N2, Chromaton N-AWHMDS, 3.9 K/min; Column length: 1.8 m; Tstart: 80. C; Tend: 250. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1262. | 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) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Polydimethyl siloxane with 5 % Ph groups | 100. | 1084. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 120. | 1088. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 60. | 1078. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 80. | 1081. | Safa and Hadjmohannadi, 2005 | 30. m/0.25 mm/0.10 μm, Nitrogen |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 1073. | Egolf and Jurs, 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | SP 2100 | 1082. | Labropoulos, Palmer, et al., 1982 | Helium, 10. K/min; Column length: 40. m; Column diameter: 0.20 mm; Tstart: 40. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 1073. | Vinogradov, 2004 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1057. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1270. | Egolf and Jurs, 1993 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Carbowax 20M | 1254. | Labropoulos, Palmer, et al., 1982 | Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; Tstart: 40. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1270. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-Wax | 1256. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Sunner, 1963
Sunner, S.,
Corrected heat of combustion and formation values for a number of organic sulphur compounds,
Acta Chem. Scand., 1963, 17, 728-730. [all data]
McCullough, Finke, et al., 1961
McCullough, J.P.; Finke, H.L.; Hubbard, W.N.; Todd, S.S.; Messerly, J.F.; Douslin, D.R.; Waddington, G.,
Thermodynamic properties of four linear thiaalkanes,
J. Phys. Chem., 1961, 65, 784-791. [all data]
Bol'shakov, et al., 1969
Bol'shakov, G.F., et al.,
Ultraviolet spectra of heteroorganic compounds, 1969, 104. [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]
Zotov, Golovkin, et al., 1981
Zotov, L.N.; Golovkin, G.V.; Golovnya, R.V.,
GC Behaviour of Symmetrical n-Dialkyl Sulphides under Isothermal and Temperature Programming Conditions,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1981, 4, 1, 6-10, https://doi.org/10.1002/jhrc.1240040103
. [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]
Kudryavtseva, Fatalieva, et al., 1972
Kudryavtseva, N.A.; Fatalieva, A.A.; Lulova, N.I.; Vinogradova, I.E.,
Methods of assessing fuel and oil quality. Use of gas chromatography to identify components of decomposition products from Sul'fol antiscuff additive,
Chem. Technol. Fuels Oils (Engl. Transl.), 1972, 8, 10, 786-790, https://doi.org/10.1007/BF00717079
. [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]
Evans and Smith, 1967
Evans, M.B.; Smith, J.F.,
Gas chromatography in qualitative analysis. IV. An investigation of the changes in relative rentention data accompanying the oxidation of apolar stationary phases,
J. Chromatogr., 1967, 28, 277-284, https://doi.org/10.1016/S0021-9673(01)85968-9
. [all data]
Adlard, Evans, et al., 1965
Adlard, E.R.; Evans, M.B.; Butlin, A.G.; Evans, R.S.; Hill, R.; Huber, J.F.K.; Littlewood, A.B.; McCambley, W.G.; Smith, J.F.; Swanton, W.T.; Swoboda, P.A.T.,
Recommendations of the data sub-committee for the publication of retention data,
J. Gas Chromatogr., 1965, 3, 9, 298-302, https://doi.org/10.1093/chromsci/3.9.298
. [all data]
Morishita, Murakita, et al., 1985
Morishita, F.; Murakita, H.; Kojima, T.,
Prediction of retention indices of thiols and sulfides under different conditions of capillary gas chromatography,
Bunseki Kagaku, 1985, 34, 12, 800-802, https://doi.org/10.2116/bunsekikagaku.34.12_800
. [all data]
Morishita, Murakita, et al., 1982
Morishita, F.; Murakita, H.; Takemura, Y.; Kojima, T.,
Prediction of molecular structures of thiols and sulphides by retention indices,
J. Chromatogr., 1982, 239, 483-492, https://doi.org/10.1016/S0021-9673(00)82005-1
. [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]
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]
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]
Labropoulos, Palmer, et al., 1982
Labropoulos, A.E.; Palmer, J.K.; Tao, P.,
Flavor evaluation and characterization of yogurt as affected by ultra-high temperature and vat processes,
J. Dairy Sci., 1982, 65, 2, 191-196, https://doi.org/10.3168/jds.S0022-0302(82)82176-0
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, IR Spectrum, UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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