Benzene, 2-ethyl-1,3-dimethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-4-10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3
- IUPAC Standard InChIKey: CHIKRULMSSADAF-UHFFFAOYSA-N
- CAS Registry Number: 2870-04-4
- 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: m-Xylene, 2-ethyl-; 1,3-Dimethyl-2-ethylbenzene; 2-Ethyl-1,3-dimethylbenzene; 2-ethyl-m-xylene
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| NIST MS number | 3144 |
UV/Visible spectrum
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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 | Kusakov, et al., 1963 |
|---|---|
| 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. 20034 |
| Instrument | unknown |
| Melting point | - 16.2 |
| Boiling point | 190 |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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 | OV-1 | 100. | 1081.6 | Zhu, Zhang, et al., 1999 | Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | CP Sil 2 | 80. | 1084.7 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
| Capillary | OV-101 | 100. | 1078. | Matisová, Kovacicová, et al., 1989 | He; Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | SE-30 | 70. | 1069.6 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 80. | 1064.97 | Soják and Rijks, 1976 | H2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 65. | 1070.4 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
| Capillary | Squalane | 100. | 1072.0 | Svob and Deur-Siftar, 1974 | He; Column length: 10.5 m; Column diameter: 0.25 mm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1099.2 | Wang, Fingas, et al., 1994 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C |
| Capillary | OV-101 | 1073. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
| Capillary | Apiezon L | 1105. | Louis, 1971 | N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH-100 | 1080.75 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
| Capillary | DB-1 | 1082. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PEG-20M | 70. | 1372.1 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
| Capillary | Carbowax 20M | 90. | 1347.5 | Döring, Estel, et al., 1974 | Column length: 100. m; Column diameter: 0.2 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-5 | 1087. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
| Capillary | HP-5MS | 1120. | Kallio, Jussila, et al., 2006 | 20. m/0.25 mm/0.25 μm, 60. C @ 4. min, 5. K/min, 240. C @ 15. min |
| Capillary | Petrocol DH | 1081.8 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
| Capillary | DB-5 | 1100.0 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | PONA | 1072.1 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
| Capillary | PONA | 1075.7 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
| Capillary | Petrocol DH | 1076. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | OV-101 | 1073. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Wax 52CB | 1363. | Liu, Yang, et al., 2001 | H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 1082. | Vodenkova, Leol'ko, et al., 2005 | He; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1075. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | OV-101 | 120. | 1081. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | Squalane | 95.4 | 1061. | Sojak and Vigdergauz, 1978 | H2 |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 1086. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
| Capillary | Petrocol DH | 1082. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
| Capillary | HP-5 MS | 1032. | Jerkovic and Marijanovic, 2010 | 30. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min |
| Capillary | HP-5 | 1029. | Yassa and Akhani, 2008 | 30. m/0.25 mm/0.32 μm, Helium, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | HP-5 | 1029. | Yassa and Akhani, 2007 | 30. m/0.25 mm/0.32 μm, He, 60. C @ 30. min, 5. K/min; Tend: 250. C |
| Capillary | OV-1 | 1074. | Orav, Kailas, et al., 1999 | 2. K/min; Tstart: 50. C; Tend: 160. C |
| Capillary | OV-101 | 1075. | Orav, Kailas, et al., 1999, 2 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
| Capillary | HP-5 | 1097.1 | Wang and Fingas, 1995 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min |
| Capillary | DB-1 | 1062. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
| Capillary | CP Sil 5 CB | 1072. | Hartgers, Damste, et al., 1992 | 25. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polymethylsiloxane, (PMS-20000) | 1070. | Cornwell and Cordano, 2003 | Program: not specified |
| Capillary | SE-30 | 1070. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
| Capillary | SE-30 | 1081. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
| Capillary | DB-1 | 1086. | Hathcock and Bertsch, 1993 | 100. m/0.25 mm/0.5 μm; Program: not specified |
| Capillary | OV-101 | 1080. | Matisová, Juranyiová, et al., 1991 | 52. m/0.25 mm/0.38 μm, H2; Program: 70 - 160 C at 1.5 deg/min; 160 - 280 C at 15 deg/min 15 min at 280 C |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1070. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 90. | 1348. | Sutter, Peterson, et al., 1997 |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1372. | Cornwell and Cordano, 2003 | Program: not specified |
| Capillary | Carbowax 20M | 1348. | Ivanciuc, Ivanciuc, et al., 2001 | Program: not specified |
| Capillary | PEG-20M | 1372. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
| Capillary | CP-Wax 52CB | 1355. | Vernin, 1991 | Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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.
Kusakov, et al., 1963
Kusakov, M.M., et al.,
Ultraviolet Absorption Spectra of Aromatic Hydrocarbons, 1963, 73. [all data]
Zhu, Zhang, et al., 1999
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The application quantitative structure-retention relationship of GC to aid MS qualitative analysis,
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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,
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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,
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Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixtures,
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Capillary gas chromatography of alkylbenzenes. I. Some problems encountered with the precision of the retention indcies of alkylbenzenes,
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Svob and Deur-Siftar, 1974
Svob, V.; Deur-Siftar, D.,
Kovats Retention Indices in the Identification of Alkylbenzene Degradation Products,
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Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices,
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Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
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Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography,
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Estimation of air/coating distribution coefficients for solid phase microextraction using retention indexes from linear temperature-programmed capillary gas chromatography. Application to the sampling and analysis of total petroleum hydrocarbons in air,
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Wang, Z.; Fingas, M.,
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Hathcock, S.; Bertsch, W.,
Analysis of volatiles associated with industrial scale processing of expanded polystyrene. Part II: Identification and quantitation,
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Waggott, A.; Davies, I.W.,
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Sutter, J.M.; Peterson, T.A.; Jurs, P.C.,
Prediction of gas chromatographic retention indices of alkylbenzenes,
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Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors,
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Vernin, 1991
Vernin, G.,
Volatile constituents of the essential oil of Santolina chamaecyparissus L.,
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Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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