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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Phase change data
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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 463.13 ± 0.07 | K | AVG | N/A | Average of 8 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 256.81 | K | N/A | Birch, Dean, et al., 1949 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 12.9 | kcal/mol | N/A | Reid, 1972 | AC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.7 | 356. | A | Stephenson and Malanowski, 1987 | Based on data from 341. to 493. K.; AC |
| 11.6 | 314. | N/A | Stull, 1947 | Based on data from 299. to 461. K.; AC |
Gas Chromatography
Go To: Top, Phase change data, 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, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Birch, Dean, et al., 1949
Birch, S.F.; Dean, R.A.; Fidler, F.A.; Lowry, R.A.,
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Kovats Retention Indices in the Identification of Alkylbenzene Degradation Products,
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Vernin, G.,
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J. Essent. Oil Res., 1991, 3, 1, 49-53, https://doi.org/10.1080/10412905.1991.9697907
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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