Benzene, 1-ethyl-4-methyl-
- Formula: C9H12
- Molecular weight: 120.1916
- IUPAC Standard InChIKey: JRLPEMVDPFPYPJ-UHFFFAOYSA-N
- CAS Registry Number: 622-96-8
- 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: Toluene, p-ethyl-; p-Ethylmethylbenzene; p-Ethyltoluene; p-Methylethylbenzene; 1-Ethyl-4-methylbenzene; 1-Methyl-4-ethylbenzene; 4-Ethyltoluene; 4-Methylethylbenzene; para-Ethyltoluene; Benzene, 1-methyl-4-ethyl-; 1,4-Methylethylbenzene; NSC 74177; 4-ethylmethylbenzene
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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 | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | HP-101 | CP Sil 2 | OV-1 |
Column length (m) | 50. | 50. | 50. | 100. | 52. |
Carrier gas | He | He | H2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.2 | 0.25 | 0.38 | ||
Temperature (C) | 40. | 60. | 60. | 80. | 100. |
I | 941.6 | 946.5 | 947.33 | 958.6 | 957.1 |
Reference | Chen, Liang, et al., 2001 | Chen, Liang, et al., 2001 | Garay, 2000 | Estel, Mohnke, et al., 1995 | Matisová and Kurán, 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-1 | PONA | OV-101 | OV-101 | OV-101 |
Column length (m) | 52. | 50. | 50. | 50. | 54. |
Carrier gas | H2 | H2 | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.20 | 0.26 |
Phase thickness (μm) | 0.38 | 0.5 | |||
Temperature (C) | 100. | 100. | 100. | 100. | 100. |
I | 956.8 | 957.8 | 957. | 957. | 954. |
Reference | Matisová and Kurán, 1990 | Matisová and Kurán, 1990 | Dimov and Mekenyan, 1989 | Matisová, Kovacicová, et al., 1989 | Zenkevich and Tsibulskaya, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | OV-101 | OV-101 | OV-101 |
Column length (m) | 54. | 54. | 54. | 54. | 54. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.26 | 0.26 | 0.26 | 0.26 |
Phase thickness (μm) | |||||
Temperature (C) | 100. | 100. | 100. | 100. | 100. |
I | 955. | 956. | 957. | 957. | 958. |
Reference | Zenkevich and Tsibulskaya, 1989 | Zenkevich and Tsibulskaya, 1989 | Zenkevich and Tsibulskaya, 1989 | Zenkevich and Tsibulskaya, 1989 | Zenkevich and Tsibulskaya, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | OV-101 | OV-101 | OV-101 |
Column length (m) | 54. | 54. | 54. | 54. | 278. |
Carrier gas | Helium | Helium | Helium | Helium | N2 |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.26 | 0.26 | 0.26 | 0.25 |
Phase thickness (μm) | |||||
Temperature (C) | 100. | 100. | 100. | 100. | 120. |
I | 959. | 959. | 960. | 960. | 962. |
Reference | Zenkevich and Tsibulskaya, 1989 | Zenkevich and Tsibulskaya, 1989 | Zenkevich and Tsibulskaya, 1989 | Zenkevich and Tsibulskaya, 1989 | Matisová, Moravcová, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Apolane | OV-101 | OV-101 | Squalane | Squalane |
Column length (m) | 200. | 278. | 278. | 100. | |
Carrier gas | N2 | H2 | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | |||||
Temperature (C) | 120. | 100. | 100. | 100. | 106. |
I | 977. | 957. | 957. | 951. | 952. |
Reference | Matisová, Moravcová, et al., 1988 | Matisová, Rukríglová, et al., 1988 | Matisová, Rukríglová, et al., 1988 | Nabivach and Vasiliev, 1987 | Kugucheva and Mashinsky, 1983 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Squalane | DB-1 | DB-1 | SE-30 | SE-30 |
Column length (m) | 100. | 60. | 60. | 15. | 100. |
Carrier gas | He | N2 | |||
Substrate | |||||
Column diameter (mm) | 0.264 | 0.259 | 0.25 | 0.5 | |
Phase thickness (μm) | 1. | ||||
Temperature (C) | 96. | 60. | 60. | 70. | 130. |
I | 949. | 947.1 | 947.5 | 950.6 | 967. |
Reference | Kugucheva and Mashinsky, 1983 | Lubeck and Sutton, 1983 | Lubeck and Sutton, 1983 | Tóth, 1983 | Bredael, 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | OV-101 | OV-101 | OV-101 | Squalane |
Column length (m) | 100. | 50. | 50. | 50. | 50. |
Carrier gas | N2 | N2 | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.5 | 0.30 | 0.30 | 0.30 | 0.25 |
Phase thickness (μm) | |||||
Temperature (C) | 80. | 100. | 120. | 140. | 86. |
I | 954. | 958. | 963. | 970. | 948.2 |
Reference | Bredael, 1982 | Gerasimenko and Nabivach, 1982 | Gerasimenko and Nabivach, 1982 | Gerasimenko and Nabivach, 1982 | Macák, Nabivach, et al., 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | Squalane | OV-101 | OV-101 | OV-101 | Squalane |
Column length (m) | 50. | 50. | 50. | 50. | 1. |
Carrier gas | N2 | N2 | N2 | N2 | He |
Substrate | Chromaton N-AW-HMDS | ||||
Column diameter (mm) | 0.25 | 0.3 | 0.3 | 0.3 | |
Phase thickness (μm) | |||||
Temperature (C) | 96. | 100. | 120. | 140. | 100. |
I | 950.4 | 958.2 | 963.2 | 970.1 | 954. |
Reference | Macák, Nabivach, et al., 1982 | Gerasimenko, Kirilenko, et al., 1981 | Gerasimenko, Kirilenko, et al., 1981 | Gerasimenko, Kirilenko, et al., 1981 | Nabivach and Kirilenko, 1980 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Squalane | Squalane | Squalane | Squalane | Squalane |
Column length (m) | 50. | 50. | 50. | 50. | 50. |
Carrier gas | N2 | N2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Temperature (C) | 86. | 86. | 86. | 86. | 86. |
I | 947.8 | 948.2 | 948.4 | 948.2 | 949.0 |
Reference | Nabivach and Kirilenko, 1979 | Nabivach and Kirilenko, 1979 | Nabivach and Kirilenko, 1979 | Nabivach and Kirilenko, 1979 | Nabivach and Kirilenko, 1979 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Squalane | Squalane | Squalane | Squalane | Squalane |
Column length (m) | 50. | 50. | 100. | 120. | 120. |
Carrier gas | N2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.23 | 0.25 | 0.25 |
Phase thickness (μm) | |||||
Temperature (C) | 86. | 96. | 100. | 100. | 100. |
I | 948.2 | 950.4 | 954. | 948.8 | 948.8 |
Reference | Nabivach, Bur'yan, et al., 1978 | Nabivach, Bur'yan, et al., 1978 | Engewald and Wennrich, 1976 | Lulova, Leont'eva, et al., 1976 | Lulova, Leont'eva, 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 | SE-30 | SE-30 | Squalane |
Column length (m) | 100. | 50. | 25.5 | 25.5 | 10.5 |
Carrier gas | H2 | H2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.5 | 0.5 | 0.25 |
Phase thickness (μm) | |||||
Temperature (C) | 80. | 100. | 65. | 65. | 100. |
I | 945.26 | 950. | 947.6 | 948.2 | 951.3 |
Reference | Soják and Rijks, 1976 | Mitra, Mohan, et al., 1974 | Svob, Deur-Siftar, et al., 1974 | Svob and Deur-Siftar, 1974 | Svob and Deur-Siftar, 1974 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Squalane | Squalane | Squalane | Squalane | Squalane |
Column length (m) | 50. | 45. | 200. | 200. | 200. |
Carrier gas | N2 | N2 | N2 | N2 | N2 |
Substrate | Celite 545 | ||||
Column diameter (mm) | 0.3 | 0.2 | 0.2 | 0.2 | 0.2 |
Phase thickness (μm) | |||||
Temperature (C) | 120. | 92. | 115. | 115. | 86. |
I | 952. | 950. | 955.6 | 955.1 | 948.0 |
Reference | Agrawal, Tesarík, et al., 1972 | Krupcík, Liska, et al., 1970 | Krupcík, Liska, et al., 1970 | Soják and Bucinská, 1970 | Soják and Bucinská, 1970 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Chen, Liang, et al., 2001
Chen, J.P.; Liang, X.M.; Zhang, Q.; Zhang, L.F.,
Prediction of GC retention values under various column temperature conditions from temperature programmed data,
Chromatographia, 2001, 53, 9/10, 539-547, https://doi.org/10.1007/BF02491619
. [all data]
Garay, 2000
Garay, F.,
Application of a flow-tunable, serially coupled gas chromatographic capillary column system for the analysis of complex mixtures,
Chromatographia Sup., 2000, 51, 1, s108-s120, https://doi.org/10.1007/BF02492792
. [all data]
Estel, Mohnke, et al., 1995
Estel, D.; Mohnke; Biermans; Rotzsche,
The analysis of C4-C11 hydrocarbons in naphtha and reformate with a new apolar fused silica column,
J. Hi. Res. Chromatogr., 1995, 18, 7, 403-412, https://doi.org/10.1002/jhrc.1240180703
. [all data]
Matisová and Kurán, 1990
Matisová, E.; Kurán, P.,
Reproducibility of retention indices measurement of alkylbenzenes on crosslinked methyl silicone phase fused silica capillaries,
Chromatographia, 1990, 30, 5/6, 328-332, https://doi.org/10.1007/BF02319717
. [all data]
Dimov and Mekenyan, 1989
Dimov, N.; Mekenyan, Ov.,
Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity,
J. Chromatogr., 1989, 471, 227-236, https://doi.org/10.1016/S0021-9673(00)94170-0
. [all data]
Matisová, Kovacicová, et al., 1989
Matisová, E.; Kovacicová, E.; Ha, P.T.; Kolek, E.; Engewald, W.,
Identification of alkylbenzenes up to C12 by capillary gas chromatography-mass spectrometry. II. Retention indices on OV-101 columns and retention-molecular structure correlations,
J. Chromatogr., 1989, 475, 2, 113-123, https://doi.org/10.1016/S0021-9673(01)89667-9
. [all data]
Zenkevich and Tsibulskaya, 1989
Zenkevich, I.G.; Tsibulskaya, I.A.,
Influence of Relative Amounts of Mixture Components on the Precision of Measurements of Gas Chromatographic Retention Indices,
Zh. Anal. Khim. (Rus.), 1989, 44, 1, 90-96. [all data]
Matisová, Moravcová, et al., 1988
Matisová, E.; Moravcová, A.; Krupcík; Cellár, P.; Leclercq, P.A.,
Problems with the reproducibility of retention data on capillary columns with hydrocarbon C87 as the stationary phase,
J. Chromatogr., 1988, 454, 65-71, https://doi.org/10.1016/S0021-9673(00)88602-1
. [all data]
Matisová, Rukríglová, et al., 1988
Matisová, E.; Rukríglová, M.; Krupcík, J.; Kovacicová, E.; Holotík, S.,
Identification of alkylbenzenes up to C12 by capillary gas chromatography and combined gas chromatography-mass spectrometry. I. OV-101 as stationary phase,
J. Chromatogr., 1988, 455, 301-309, https://doi.org/10.1016/S0021-9673(01)82129-4
. [all data]
Nabivach and Vasiliev, 1987
Nabivach, V.M.; Vasiliev, E.E.E.,
Correlation dependencies of GC retention indices from physical chemical properties and structures of aromatic hydrocarbons,
Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol., 1987, 30, 72-75. [all data]
Kugucheva and Mashinsky, 1983
Kugucheva, E.E.; Mashinsky, V.I.,
Retention Indices of Aromatic Hydrocarbons on Capillary Columns with Squalan and Polyphenyl Ether,
Zh. Anal. Khim. (Rus), 1983, 38, 11, 2023-2026. [all data]
Lubeck and Sutton, 1983
Lubeck, A.J.; Sutton, DL.,
Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 6, 328-332, https://doi.org/10.1002/jhrc.1240060612
. [all data]
Tóth, 1983
Tóth, T.,
Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixtures,
J. Chromatogr., 1983, 279, 157-165, https://doi.org/10.1016/S0021-9673(01)93614-3
. [all data]
Bredael, 1982
Bredael, P.,
Retention indices of hydrocarbons on SE-30,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610
. [all data]
Gerasimenko and Nabivach, 1982
Gerasimenko, V.A.; Nabivach, V.M.,
Relationship between molecular structure and gas chromatographic retention of alkylbenzenes C8-C1 2 on polydimethylsiloxane,
Zh. Anal. Khim., 1982, 37, 110-116. [all data]
Macák, Nabivach, et al., 1982
Macák, J.; Nabivach, V.; Buryan, P.; Sindler, S.,
Dependence of retention indices of alkylbenzenes on their molecular structure,
J. Chromatogr., 1982, 234, 2, 285-302, https://doi.org/10.1016/S0021-9673(00)81867-1
. [all data]
Gerasimenko, Kirilenko, et al., 1981
Gerasimenko, V.A.; Kirilenko, A.V.; Nabivach, V.M.,
Capillary gas chromatography of aromatic compounds found in coal tar fractions,
J. Chromatogr., 1981, 208, 1, 9-16, https://doi.org/10.1016/S0021-9673(00)87953-4
. [all data]
Nabivach and Kirilenko, 1980
Nabivach, V.M.; Kirilenko, A.V.,
Relationship between the gas chromatographic behaviour and the molecular structure of hydrocarbon samples and various stationary phases. Part II. Correlation between the retention index, physicochemical properties and molecular structure,
Chromatographia, 1980, 13, 2, 93-100, https://doi.org/10.1007/BF02263060
. [all data]
Nabivach and Kirilenko, 1979
Nabivach, V.M.; Kirilenko, A.V.,
The use of retention indices for identifying the components of crude benzene,
Solid Fuel Chem. (Engl. Transl.), 1979, 13, 3, 82-87. [all data]
Nabivach, Bur'yan, et al., 1978
Nabivach, V.M.; Bur'yan, P.; Matsak, I.,
Retention indices of aromatic hydrocarbons on a squalane capillary column,
Zh. Anal. Khim., 1978, 33, 7, 1108-1113. [all data]
Engewald and Wennrich, 1976
Engewald, W.; Wennrich, L.,
Molekülstruktur und Retentionsverhalten. VIII. Zum Retentionsverhalten höherer Alkylbenzole bei der Gas-Verteilungs-Chromatographie,
Chromatographia, 1976, 9, 11, 540-547, https://doi.org/10.1007/BF02275960
. [all data]
Lulova, Leont'eva, et al., 1976
Lulova, N.I.; Leont'eva, S.A.; Timofeeva, A.N.,
Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines
in Proceedings of All-Union Research Institute on Oil Processes. Vol.18, All-Union Research Institute on Oil Processes, Moscow, 1976, 30-53. [all data]
Soják and Rijks, 1976
Soják, L.; Rijks, J.A.,
Capillary gas chromatography of alkylbenzenes. I. Some problems encountered with the precision of the retention indcies of alkylbenzenes,
J. Chromatogr., 1976, 119, 505-521, https://doi.org/10.1016/S0021-9673(00)86812-0
. [all data]
Mitra, Mohan, et al., 1974
Mitra, G.D.; Mohan, G.; Sinha, A.,
Gas chromatographic analysis of complex hydrocarbon mixtures,
J. Chromatogr. A, 1974, 91, 633-648, https://doi.org/10.1016/S0021-9673(01)97944-0
. [all data]
Svob, Deur-Siftar, et al., 1974
Svob, V.; Deur-Siftar, D.; Cramers, C.A.,
Mechanisms of the thermal degradation of alkylbenzenes,
J. Chromatogr., 1974, 91, 659-675, https://doi.org/10.1016/S0021-9673(01)97946-4
. [all data]
Svob and Deur-Siftar, 1974
Svob, V.; Deur-Siftar, D.,
Kovats Retention Indices in the Identification of Alkylbenzene Degradation Products,
J. Chromatogr., 1974, 91, 677-689, https://doi.org/10.1016/S0021-9673(01)97947-6
. [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]
Krupcík, Liska, et al., 1970
Krupcík, J.; Liska, O.; Soják, L.,
The applicability of the linear free energy relationships for the identification of some alkyl aromatic hydrocarbons by open tubular column gas chromatography,
J. Chromatogr., 1970, 51, 119-127, https://doi.org/10.1016/S0021-9673(01)96846-3
. [all data]
Soják and Bucinská, 1970
Soják, L.; Bucinská, A.,
Open tubular column gas chromatography of dehydrogenation products of C6-C10 n-alkanes. Separation and identification of mixtures of C6-C10 straight-chain alkanes, alkenes and aromatics,
J. Chromatogr., 1970, 51, 75-82, https://doi.org/10.1016/S0021-9673(01)96841-4
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
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