Benzene, 1,2,4,5-tetramethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChIKey: SQNZJJAZBFDUTD-UHFFFAOYSA-N
- CAS Registry Number: 95-93-2
- 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: Durene; Durol; 1,2,4,5-Tetramethylbenzene; p-Xylene, 2,5-dimethyl-
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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 | HP-5 | HP-5 | OV-1 | OV-1 | CP Sil 2 |
Column length (m) | 60. | 60. | 50. | 25. | 100. |
Carrier gas | N2 | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | |
Temperature (C) | 100. | 120. | 100. | 150. | 80. |
I | 1124.7 | 1132.4 | 1109.3 | 1126. | 1116.7 |
Reference | Pérez-Parajón, Santiuste, et al., 2004 | Pérez-Parajón, Santiuste, et al., 2004 | Zhu, Zhang, et al., 1999 | Zhang, Chen, et al., 1997 | Estel, Mohnke, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | HP-1 | HP-1 | HP-1 | OV-1 |
Column length (m) | 25. | 25. | 25. | 25. | 52. |
Carrier gas | N2 | N2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.20 | 0.20 | 0.20 | 0.25 |
Phase thickness (μm) | 0.38 | ||||
Temperature (C) | 60. | 60. | 100. | 100. | 100. |
I | 1093. | 1093. | 1106. | 1106. | 1106.1 |
Reference | Zhang, Li, et al., 1992 | Zhang, Li, et al., 1992 | Zhang, Li, et al., 1992 | Zhang, Li, et al., 1992 | 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 | Apolane |
Column length (m) | 52. | 50. | 50. | 278. | 200. |
Carrier gas | H2 | H2 | He | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.20 | 0.25 | 0.25 |
Phase thickness (μm) | 0.38 | 0.5 | |||
Temperature (C) | 100. | 100. | 100. | 120. | 120. |
I | 1105.6 | 1106.5 | 1106. | 1113. | 1142. |
Reference | Matisová and Kurán, 1990 | Matisová and Kurán, 1990 | Matisová, Kovacicová, et al., 1989 | Matisová, Moravcová, et al., 1988 | 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 | OV-101 | OV-101 | OV-101 | OV-101 | OV-101 |
Column length (m) | 278. | 278. | 278. | 278. | 278. |
Carrier gas | H2 | H2 | H2 | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | |||||
Temperature (C) | 100. | 100. | 100. | 100. | 100. |
I | 1106. | 1106. | 1106. | 1107. | 1107. |
Reference | Matisová, Rukríglová, et al., 1988 | Matisová, Rukríglová, et al., 1988 | Matisová, Rukríglová, et al., 1988 | Matisová, Rukríglová, et al., 1988 | Matisová, Rukríglová, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | SE-30 | OV-101 | OV-101 | OV-101 |
Column length (m) | 278. | 3. | 85. | 85. | 85. |
Carrier gas | H2 | Ar | N2 | N2 | N2 |
Substrate | Gas Chrom Q (80-100 mesh) | ||||
Column diameter (mm) | 0.25 | 0.28 | 0.28 | 0.28 | |
Phase thickness (μm) | |||||
Temperature (C) | 100. | 150. | 100. | 100. | 100. |
I | 1107. | 1125. | 1105. | 1107. | 1105. |
Reference | Matisová, Rukríglová, et al., 1988 | Tiess, 1984 | Boneva, Papazova, et al., 1983 | Boneva, Papazova, et al., 1983 | Boneva, Papazova, et al., 1983 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | SE-30 | SE-30 | SE-30 |
Column length (m) | 85. | 85. | 15. | 100. | 100. |
Carrier gas | N2 | N2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.28 | 0.28 | 0.25 | 0.5 | 0.5 |
Phase thickness (μm) | |||||
Temperature (C) | 110. | 90. | 70. | 130. | 80. |
I | 1108. | 1100. | 1096.4 | 1118. | 1100. |
Reference | Boneva, Papazova, et al., 1983 | Boneva, Papazova, et al., 1983 | Tóth, 1983 | Bredael, 1982 | Bredael, 1982 |
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 | Squalane | Squalane |
Column length (m) | 50. | 50. | 50. | 50. | 50. |
Carrier gas | N2 | N2 | N2 | N2 | N2 |
Substrate | |||||
Column diameter (mm) | 0.30 | 0.30 | 0.30 | 0.25 | 0.25 |
Phase thickness (μm) | |||||
Temperature (C) | 100. | 120. | 140. | 86. | 96. |
I | 1107. | 1114. | 1121. | 1102.8 | 1105.9 |
Reference | Gerasimenko and Nabivach, 1982 | Gerasimenko and Nabivach, 1982 | Gerasimenko and Nabivach, 1982 | Macák, Nabivach, et al., 1982 | Macák, Nabivach, et al., 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | OV-101 | Squalane | Squalane |
Column length (m) | 50. | 50. | 50. | 1. | 50. |
Carrier gas | N2 | N2 | N2 | He | |
Substrate | Chromaton N-AW-HMDS | ||||
Column diameter (mm) | 0.3 | 0.3 | 0.3 | 0.25 | |
Phase thickness (μm) | |||||
Temperature (C) | 100. | 120. | 140. | 100. | 86. |
I | 1107.2 | 1114.4 | 1121.2 | 1106. | 1102.8 |
Reference | Gerasimenko, Kirilenko, et al., 1981 | Gerasimenko, Kirilenko, et al., 1981 | Gerasimenko, Kirilenko, et al., 1981 | Nabivach and Kirilenko, 1980 | Nabivach, Bur'yan, et al., 1978 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed | Packed |
---|---|---|---|---|---|
Active phase | Squalane | Squalane | Squalane | SE-30 | SE-30 |
Column length (m) | 50. | 100. | 100. | 6.1 | 6.1 |
Carrier gas | N2 | H2 | N2 | N2 | |
Substrate | Chrom W | Chrom W | |||
Column diameter (mm) | 0.25 | 0.23 | 0.25 | ||
Phase thickness (μm) | |||||
Temperature (C) | 96. | 100. | 80. | 120. | 130. |
I | 1105.9 | 1107. | 1099.53 | 1124. | 1128. |
Reference | Nabivach, Bur'yan, et al., 1978 | Engewald and Wennrich, 1976 | Soják and Rijks, 1976 | Mitra, Mohan, et al., 1974 | Mitra, Mohan, et al., 1974 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Capillary | Packed | Packed |
---|---|---|---|---|
Active phase | SE-30 | SE-30 | Apiezon L | Methyl Silicone |
Column length (m) | 6.1 | 25.5 | 2.3 | |
Carrier gas | N2 | He | N2 | |
Substrate | Chrom W | DCMS-treated Chromosorb W | ||
Column diameter (mm) | 0.5 | |||
Phase thickness (μm) | ||||
Temperature (C) | 140. | 65. | 100. | 130. |
I | 1134. | 1094.9 | 1145. | 1123. |
Reference | Mitra, Mohan, et al., 1974 | Svob and Deur-Siftar, 1974 | Brown, Chapman, et al., 1968 | Antheaume and Guiochon, 1965 |
Comment | 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.
Pérez-Parajón, Santiuste, et al., 2004
Pérez-Parajón, J.M.; Santiuste, J.M.; Takács, J.M.,
Sensitivity of the methylbenzenes and chlorobenzenes retention index to column temperature, stationary phase polarity, and number and chemical nature of substituents,
J. Chromatogr. A, 2004, 1048, 2, 223-232, https://doi.org/10.1016/j.chroma.2004.07.028
. [all data]
Zhu, Zhang, et al., 1999
Zhu, X.; Zhang, L.; Chen, J.; Wang, L.; Che, X.,
The application quantitative structure-retention relationship of GC to aid MS qualitative analysis,
Chin. J. Chromatogr., 1999, 17, 4, 351-353. [all data]
Zhang, Chen, et al., 1997
Zhang, M.; Chen, B.; Shen, S.; Chen, S.,
Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractions,
Fuel, 1997, 76, 5, 415-423, https://doi.org/10.1016/S0016-2361(97)85518-4
. [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]
Zhang, Li, et al., 1992
Zhang, M.J.; Li, S.D.; Chen, B.J.,
Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions,
Chromatographia, 1992, 33, 3/4, 138-146, https://doi.org/10.1007/BF02275894
. [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]
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]
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]
Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]
Boneva, Papazova, et al., 1983
Boneva, St.; Papazova, D.; Dimov, N.,
Retention Indices of aromatic hydrocarbons on glass and metal capillary columns with stationary phase OV-101,
Jahrb. Chem. Tech. Hochschule Burgas, 1983, 18, 143-148. [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, 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]
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.,
Advances in the utilization of the retention index system for characterizing hydrocarbons in complex mixtures by gas chromatography,
J. Chromatogr., 1974, 99, 215-230, https://doi.org/10.1016/S0021-9673(00)90857-4
. [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]
Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J.,
Gas chromatography of polar solutes in electron acceptor stationary phases,
Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125
. [all data]
Antheaume and Guiochon, 1965
Antheaume, J.; Guiochon, G.,
Application de la chromatographie en phase gazeuse à l'étude de la composition des fractions moyennes d'un brut pétrolier,
Bull. Soc. Chim. Fr., 1965, 2, 298-307. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
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