Thiophene
- Formula: C4H4S
- Molecular weight: 84.140
- IUPAC Standard InChIKey: YTPLMLYBLZKORZ-UHFFFAOYSA-N
- CAS Registry Number: 110-02-1
- 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: Thiacyclopentadiene; CP 34; Furan, thio-; Huile HSO; Huile H50; Thiaphene; Thiofuram; Thiofuran; Thiofurfuran; Thiole; Thiophen; Thiotetrole; Divinylene sulfide; USAF EK-1860; Thiofen; UN 2414; Hopkin's lactic acid reagent; NSC 405073
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Kovats' RI, non-polar column, isothermal
Go To: Top, 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
Column type | Packed | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Apiezon L | DB-5 | DB-5 | DB-5 | DB-5 |
Column length (m) | 1. | 30. | 30. | 30. | 30. |
Carrier gas | |||||
Substrate | Chromaton N-AW | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.1 | 0.1 | 0.1 | 0.1 | |
Temperature (C) | 160. | 100. | 120. | 60. | 80. |
I | 694. | 686.1 | 700.0 | 674.6 | 679.6 |
Reference | Kurbatova, Finkelstein, et al., 2004 | Miller and Bruno, 2003 | Miller and Bruno, 2003 | Miller and Bruno, 2003 | Miller and Bruno, 2003 |
Comment | Large deviations from similar measurements; MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | C78, Branched paraffin | SPB-1 | SE-30 | OV-101 | C78, Branched paraffin |
Column length (m) | 3.3 | 60. | 60. | 60. | 3.3 |
Carrier gas | He | He | He | ||
Substrate | Chromosorb G HP | ||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.50 | 0.50 | ||
Temperature (C) | 130. | 100. | 100. | 100. | 130. |
I | 685.3 | 668. | 668. | 668. | 683.0 |
Reference | Dallos, Sisak, et al., 2000 | Misharina, Beletsky, et al., 1994 | Golovnya, Misharina, et al., 1992 | Golovnya, Misharina, et al., 1992 | Reddy, Dutoit, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed | Packed | Packed | Packed |
---|---|---|---|---|---|
Active phase | Apolane | Apiezon M | Apiezon M | Apiezon M | Apolane |
Column length (m) | 3.7 | 2.1 | 2.1 | 2.1 | 2.4 |
Carrier gas | He or N2 | He | |||
Substrate | Chromosorb W, AW-DMCS | Chromosorb WAW | Chromosorb W, AW/DMS | Chromosorb | |
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Temperature (C) | 130. | 130. | 60. | 130. | 70. |
I | 686. | 694. | 675. | 694. | 664.6 |
Reference | Dutoit, 1991 | Garbuzov, Misharina, et al., 1985 | Mikhailova, Gren, et al., 1985 | Golovnya, Garbuzov, et al., 1978 | Riedo, Fritz, et al., 1976 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Squalane | Squalane | Apiezon L | Squalane | Squalane |
Column length (m) | 50. | 50. | |||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | |||||
Temperature (C) | 60. | 60. | 120. | 120. | 86. |
I | 641. | 648. | 693. | 644. | 632. |
Reference | Ryba, 1976 | Ryba, 1976 | Agr, Tesaric, et al., 1973 | Agr, Tesaric, et al., 1973 | Agr, Tesaric, et al., 1973 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed | Packed |
---|---|---|---|---|---|
Active phase | Squalane | Squalane | Apiezon L | DC-200 | DC-200 |
Column length (m) | 50. | 50. | 100. | 4. | 4. |
Carrier gas | N2 | N2 | N2 | ||
Substrate | Celite 545 | Celite 545 | Celite | ||
Column diameter (mm) | 0.3 | 0.3 | 0.3 | ||
Phase thickness (μm) | |||||
Temperature (C) | 120. | 86. | 120. | 120. | 100. |
I | 644. | 632. | 693. | 670. | 671. |
Reference | Agrawal, Tesarík, et al., 1972 | Agrawal, Tesarík, et al., 1972 | Agrawal, Tesarík, et al., 1972 | Reymond, Mueggler-Chavan, et al., 1966 | Rohrschneider, 1966 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed |
---|---|---|
Active phase | Squalane | Apiezon L |
Column length (m) | 5. | 5. |
Carrier gas | ||
Substrate | ||
Column diameter (mm) | ||
Phase thickness (μm) | ||
Temperature (C) | 100. | 100. |
I | 652. | 690. |
Reference | Rohrschneider, 1966 | Rohrschneider, 1966 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kurbatova, Finkelstein, et al., 2004
Kurbatova, S.V.; Finkelstein, E.E.; Kolosova, E.A.; Kartashev, A.V.; Rashkin, S.V.,
Structural analogy method in studies of adamantanes,
J. Struct. Chem., 2004, 45, 1, 144-150, https://doi.org/10.1023/B:JORY.0000041513.82837.4e
. [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]
Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E.,
Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups,
J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0
. [all data]
Misharina, Beletsky, et al., 1994
Misharina, T.A.; Beletsky, I.V.; Golovnya, R.V.,
Chromatographic and IR characteristics of methyl-, formyl-, and acetyl-substituted furans and thiophenes,
Russ. Chem. Bull. (Engl. Transl.), 1994, 43, 1, 64-69, https://doi.org/10.1007/BF00699137
. [all data]
Golovnya, Misharina, et al., 1992
Golovnya, R.V.; Misharina, T.A.; Beletskiy, I.V.,
Influence of methyl, formyl and acetyl groups on retention of substituted furans and thiophenes in capillary GC,
Chromatographia, 1992, 34, 9/10, 497-501, https://doi.org/10.1007/BF02290243
. [all data]
Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz.,
Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups,
J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S
. [all data]
Dutoit, 1991
Dutoit, J.,
Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases,
J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X
. [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]
Mikhailova, Gren, et al., 1985
Mikhailova, T.V.; Gren, A.I.; Vysotskaja, L.E.; Misharina, T.A.; Vitt, S.V.; Golovnya, R.V.,
Identification of sulphur-organic compounds obtained by thermal treatment of the meat broths in the presence of alkyl-mercaptopropanol,
Nahrung, 1985, 29, 7, 671-680, https://doi.org/10.1002/food.19850290705
. [all data]
Golovnya, Garbuzov, et al., 1978
Golovnya, R.V.; Garbuzov, V.G.; Aerov, A.F.,
Gas chromatographic characterization of sulfur-containing compounds. 5. Thiophene, furan, and benzene derivatives,
Izv. Akad. Nauk SSSR Ser. Khim., 1978, 11, 2271-2274. [all data]
Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz.,
A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography,
J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2
. [all data]
Ryba, 1976
Ryba, M.,
Unlösliche Restfilme er stationären Flüssigkeit in gas-chromatographischen Glaskapillaren,
Chromatographia, 1976, 9, 3, 105-112, https://doi.org/10.1007/BF02330376
. [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]
Reymond, Mueggler-Chavan, et al., 1966
Reymond, D.; Mueggler-Chavan, F.; Viani, R.; Vuataz, L.; Egli, R.H.,
Gas chromatographic analysis of steam volatile aroma constituents: application to coffee, tea and cocoa aromas,
J. Gas Chromatogr., 1966, 4, 1, 28-31, https://doi.org/10.1093/chromsci/4.1.28
. [all data]
Rohrschneider, 1966
Rohrschneider, L.,
Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten,
J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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