Benzene, 1-ethyl-3,5-dimethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
- IUPAC Standard InChIKey: LMAUULKNZLEMGN-UHFFFAOYSA-N
- CAS Registry Number: 934-74-7
- 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, 5-ethyl-; 1-Ethyl-3,5-dimethylbenzene; 1,3-Dimethyl-5-ethylbenzene; 5-Ethyl-m-xylene; 5-Ethyl-1,3-dimethylbenzene
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IR Spectrum
Go To: Top, 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: Coblentz Society, Inc.
Condensed Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
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 SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | STANDARD OIL OF OHIO |
| Source reference | COBLENTZ NO. 3591 |
| Date | Not specified, most likely prior to 1970 |
| Name(s) | 1-ethyl-3,5-dimethylbenzene |
| State | LIQUID |
| Instrument | PERKIN-ELMER |
| Path length | 0.0024 CM |
| Resolution | 4 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS) |
Gas Chromatography
Go To: Top, IR 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. | 1050.0 | Zhu, Zhang, et al., 1999 | Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | CP Sil 2 | 80. | 1052.2 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
| Capillary | OV-1 | 100. | 1048.5 | Matisová and Kurán, 1990 | 52. m/0.25 mm/0.38 μm, N2 |
| Capillary | OV-1 | 100. | 1048.2 | Matisová and Kurán, 1990 | 52. m/0.25 mm/0.38 μm, H2 |
| Capillary | PONA | 100. | 1049.1 | Matisová and Kurán, 1990 | 50. m/0.2 mm/0.5 μm, H2 |
| Capillary | OV-101 | 100. | 1048. | Matisová, Kovacicová, et al., 1989 | He; Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | OV-101 | 120. | 1053. | Matisová, Moravcová, et al., 1988 | N2; Column length: 278. m; Column diameter: 0.25 mm |
| Capillary | Apolane | 120. | 1073. | Matisová, Moravcová, et al., 1988 | N2; Column length: 200. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1048. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1048. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1050. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1050. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 70. | 1042.6 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 65. | 1042.7 | Kuchhal, Kumar, et al., 1980 | |
| Capillary | Squalane | 80. | 1043.5 | Kuchhal, Kumar, et al., 1980 | Column length: 45.7 m; Column diameter: 0.25 mm |
| Capillary | Squalane | 86. | 1046.1 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
| Capillary | Squalane | 80. | 1043.46 | Soják and Rijks, 1976 | H2; Column length: 100. m; Column diameter: 0.25 mm |
| Packed | SE-30 | 120. | 1069. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Packed | SE-30 | 130. | 1074. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Packed | SE-30 | 140. | 1079. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Capillary | SE-30 | 130. | 1073. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
| Capillary | SE-30 | 140. | 1080. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
| Capillary | SE-30 | 150. | 1085. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
| Capillary | SE-30 | 160. | 1089. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
| Capillary | SE-30 | 65. | 1042.7 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
| Capillary | Squalane | 100. | 1048.2 | 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 | 1058.2 | 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 | 1043. | 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 | 1076. | 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 | 1049.75 | 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) |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PEG-20M | 70. | 1319.8 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
| Capillary | Carbowax 20M | 90. | 1297.0 | Kuchhal, Kumar, et al., 1980 | |
| Capillary | Carbowax 20M | 90. | 1325.9 | Döring, Estel, et al., 1974 | Column length: 100. m; Column diameter: 0.2 mm |
| Capillary | Carbowax 20M | 90. | 1297.0 | 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 | HP-5MS | 1074. | 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 | 1049.6 | 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 | PONA | 1041.3 | 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 | 1041.9 | 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 | 1044.03 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Petrocol DH | 1044.15 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Petrocol DH | 1044. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Ultra-1 | 1040.64 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-1 | 1043.33 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-1 | 1045.32 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 1056.96 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 1060.10 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 1062.45 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | OV-101 | 1043. | 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 | 1319. | Alasalvar, Taylor, et al., 2005 | 60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C |
| Capillary | CP-Wax 52CB | 1347. | Chevance and Farmer, 1999 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 1049. | Vodenkova, Leol'ko, et al., 2005 | He; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1048. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | OV-101 | 120. | 1053. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | Squalane | 110. | 1051. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 1049. | 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 | 1048. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
| Capillary | VF-5 MS | 1057. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
| Capillary | VF-5 MS | 1061. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
| Capillary | HP-5 | 1065.9 | 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 | CP Sil 5 CB | 1042. | 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 |
| Capillary | OV-101 | 1045. | Zenkevich and Ventura, 1991 | Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
| Capillary | OV-1 | 1044.1 | Durand, Boscher, et al., 1987 | 50. m/0.2 mm/0.52 μm, He, 35. C @ 10. min, 1.1 K/min; Tend: 150. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1058. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
| Capillary | HP-5 | 1058. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
| Capillary | HP-5MS | 1059. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
| Capillary | Polymethylsiloxane, (PMS-20000) | 1043. | Cornwell and Cordano, 2003 | Program: not specified |
| Capillary | Methyl Silicone | 1050. | Spieksma, 1999 | Program: not specified |
| Capillary | SE-30 | 1043. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
| Capillary | SE-30 | 1046. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1043. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1044. | 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. | 1297. | Sutter, Peterson, et al., 1997 |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1321. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1309. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
| Capillary | Carbowax 20M | 1320. | Cornwell and Cordano, 2003 | Program: not specified |
| Capillary | Carbowax 20M | 1297. | Ivanciuc, Ivanciuc, et al., 2001 | Program: not specified |
| Capillary | PEG-20M | 1320. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
References
Go To: Top, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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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The use of retention indices for identifying the components of crude benzene,
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Notes
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