Benzene, 1,2,3,5-tetramethyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChIKey: BFIMMTCNYPIMRN-UHFFFAOYSA-N
- CAS Registry Number: 527-53-7
- 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: Isodurene; 1,2,3,5-Tetramethylbenzene
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Gas phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -43.2 ± 1.3 | kJ/mol | Ccb | Draeger, 1985 | Unpublished measurement of W.D.Good; ALS |
ΔfH°gas | -44.4 ± 1.2 | kJ/mol | N/A | Good, 1975 | Value computed using ΔfHliquid° value of -96.4±1.2 kj/mol from Good, 1975 and ΔvapH° value of 52.0±0.17 kj/mol from missing citation.; DRB |
ΔfH°gas | -46.5 ± 3.0 | kJ/mol | N/A | Prosen, Johnson, et al., 1946 | Value computed using ΔfHliquid° value of -98.5±3 kj/mol from Prosen, Johnson, et al., 1946 and ΔvapH° value of 52.0±0.17 kj/mol from missing citation.; DRB |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
135.0 | 200. | Draeger, 1985 | There is an appreciable difference between values of S(T) and Cp(T) for tetra-, penta-, and hexamethylbenzene from earlier statistical thermodynamics calculation [ Hastings S.H., 1957] and those obtained by [ Draeger, 1985] (up to 5, 9, and 16 J/mol*K, respectively). Results [ Draeger, 1985] are more reliable and they agree with experimental data for hexamethylbenzene.; GT |
168.8 | 273.15 | ||
180.7 ± 0.4 | 298.15 | ||
181.6 | 300. | ||
229.3 | 400. | ||
273.0 | 500. | ||
310.6 | 600. | ||
342.6 | 700. | ||
369.8 | 800. | ||
393.0 | 900. | ||
413.0 | 1000. | ||
430.1 | 1100. | ||
444.9 | 1200. | ||
457.7 | 1300. | ||
468.7 | 1400. | ||
478.3 | 1500. |
Gas Chromatography
Go To: Top, Gas phase thermochemistry 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 | HP-5 | 100. | 1129.0 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | HP-5 | 120. | 1137.0 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | OV-1 | 100. | 1113.5 | Zhu, Zhang, et al., 1999 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | CP Sil 2 | 80. | 1121.3 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 60. | 1096. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 1096. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 1109. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 1109. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 1109. | Matisová, Kovacicová, et al., 1989 | He; Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 1109. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 1110. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 70. | 1099.5 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 80. | 1104. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 100. | 1110. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-101 | 120. | 1118. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-101 | 140. | 1125. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | Squalane | 86. | 1108.4 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 1111.4 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 1110.5 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 120. | 1117.5 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 140. | 1125.0 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Packed | Squalane | 100. | 1108. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 86. | 1108.4 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 1111.4 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 1113. | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 80. | 1105.05 | Soják and Rijks, 1976 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 120. | 1137. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 130. | 1140. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 140. | 1145. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Capillary | SE-30 | 130. | 1139. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 140. | 1144. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 150. | 1149. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 160. | 1150. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 65. | 1097.7 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Packed | Apiezon L | 100. | 1151. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Methyl Silicone | 130. | 1123. | Antheaume and Guiochon, 1965 |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1118.1 | 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 | 1103. | 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 | 1154. | 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 | 1108.8 | 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 | 1112. | 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 | ZB-Wax | 100. | 1456.3 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | ZB-Wax | 120. | 1474.5 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | Carbowax 20M | 150. | 1395. | Egazaryants and Maximov, 1998 | He; Column length: 15. m; Column diameter: 0.5 mm |
Capillary | PEG-20M | 70. | 1416.5 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
Capillary | Carbowax 20M | 100. | 1410.5 | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Carbowax 6000 | 90. | 1455.8 | Svob and Deur-Siftar, 1974 | He; Column length: 10. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 1133. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
Capillary | PONA | 1105. | Vendeuvre, Bertoncini, et al., 2005 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C |
Capillary | PONA | 1113. | Vendeuvre, Bertoncini, et al., 2005 | 50. m/0.2 mm/0.5 μm, 5. K/min; Tstart: 50. C |
Capillary | Petrocol DH | 1113.0 | 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 | Petrocol DH | 1104.26 | 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 | 1104.97 | 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 | 1104. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | SPB-1 | 1102. | Huang, Bruechert, et al., 1987 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 2. K/min, 235. C @ 40. min |
Capillary | SPB-1 | 1102. | Huang, Bruechert, et al., 1987 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 2. K/min, 235. C @ 40. min |
Capillary | OV-101 | 1103. | 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, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 1112.85 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1430. | Alasalvar, Taylor, et al., 2005 | 60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C |
Capillary | Supelcowax-10 | 1447. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | Supelcowax-10 | 1441. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Capillary | Supelcowax-10 | 1443. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 100. | 1110. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 1110. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 1117. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 1118. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | E-301 | 100. | 1122. | Bermejo, Moinelo, et al., 1980 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 1116. | Bermejo, Moinelo, et al., 1980 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 95.4 | 1107. | Sojak and Vigdergauz, 1978 | H2 |
Capillary | Squalane | 110. | 1116. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 130. | 1122. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Polydimethyl siloxane | 110. | 1113. | Ferrand, 1962 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 1114. | 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 | HP-5 MS | 1115. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | Petrocol DH | 1113. | 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 | 1119. | 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 | 1121. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | PONA | 1115. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
Capillary | HP-1 | 1104. | Castel, Fernandez, et al., 2006 | 50. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min |
Capillary | 5 % Phenyl methyl siloxane | 1108. | Ramírez, Estévez, et al., 2004 | 0. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Capillary | OV-1 | 1103. | Orav, Kailas, et al., 1999 | 2. K/min; Tstart: 50. C; Tend: 160. C |
Capillary | HP-5 | 1127.9 | 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 | DB-1 | 1116. | 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 | 1100. | 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 | HP-5 MS | 1123. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5MS | 1137. | 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) | 1100. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | SE-30 | 1107. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | DB-1 | 1104. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | OV-101 | 1109. | 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. | 1106. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1422. | 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 | 1416. | Cornwell and Cordano, 2003 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Draeger, 1985
Draeger, J.A.,
The methylbenzenes II. Fundamental vibrational shifts, statistical thermodynamic functions, and properties of formation,
J. Chem. Thermodyn., 1985, 17, 263-275. [all data]
Good, 1975
Good, W.D.,
The standard enthalpies of combustion and formation of n-butylbenzene, the dimethylethylbenzenes, and the tetramethylbenzenes in the condensed state,
J. Chem. Thermodyn., 1975, 7, 49-59. [all data]
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes,
J. Res. NBS, 1946, 36, 455-461. [all data]
Hastings S.H., 1957
Hastings S.H.,
Thermodynamic properties of selected methylbenzenes from 0 to 1000 K,
J. Phys. Chem., 1957, 61, 730-735. [all data]
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]
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, 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, 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]
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]
Mitra, Mohan, et al., 1974, 2
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 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]
Wang, Fingas, et al., 1994
Wang, Z.; Fingas, M.; Li, K.,
Fractionation of a light crude oil and identification and quantitation of aliphatic, aromatic, and biomarker comopunds by GC-FID and GC-MS, Part II,
J. Chromatogr. Sci., 1994, 32, 9, 367-382, https://doi.org/10.1093/chromsci/32.9.367
. [all data]
Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W.,
Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices,
J. Chromatogr., 1982, 253, 179-198, https://doi.org/10.1016/S0021-9673(01)88376-X
. [all data]
Louis, 1971
Louis, R.,
Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen,
Erdoel Kohle Erdgas Petrochem., 1971, 24, 2, 88-94. [all data]
Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory,
Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]
Hoekman, 1993
Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
J. Chromatogr., 1993, 639, 2, 239-253, https://doi.org/10.1016/0021-9673(93)80260-F
. [all data]
Egazaryants and Maximov, 1998
Egazaryants, S.V.; Maximov, A.L.,
Analysis of Gasoline Fractions by Capillary GC
in 20th International Symposium on Capillary Chromatography, 1998, 1-6. [all data]
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Vendeuvre, Bertoncini, et al., 2005
Vendeuvre, C.; Bertoncini, F.; Thiébaut, D.; Martin, M.; Hennion, M.-C.,
Evluation of a retention model in comprehensive two-dimensional gas chromatography,
J. Sep. Sci., 2005, 28, 11, 1129-1136, https://doi.org/10.1002/jssc.200401933
. [all data]
Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T.,
Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography,
J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922
. [all data]
White, Douglas, et al., 1992
White, C.M.; Douglas, L.J.; Hackett, J.P.; Anderson, R.R.,
Characterization of synthetic gasoline from the chloromethane-zeolite reaction,
Energy Fuels, 1992, 6, 1, 76-82, https://doi.org/10.1021/ef00031a012
. [all data]
White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211
. [all data]
Huang, Bruechert, et al., 1987
Huang, T.-C.; Bruechert, L.J.; Hartman, T.G.; Rosen, R.T.; Ho, C.-T.,
Effect of lipids and carbohydrates on thermal generation of volatiles from commercial zein,
J. Agric. Food Chem., 1987, 35, 6, 985-990, https://doi.org/10.1021/jf00078a030
. [all data]
Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W.,
Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]
Hassoun, Pilling, et al., 1999
Hassoun, S.; Pilling, M.J.; Bartle, K.D.,
A catalogue of urban hydrocarbons for the city of Leeds: atmospheric monitoring of volatile organic compounds by thermal desorption-gas chromatography,
J. Environ. Monitor., 1999, 1, 5, 453-458, https://doi.org/10.1039/a904879k
. [all data]
Alasalvar, Taylor, et al., 2005
Alasalvar, C.; Taylor, K.D.A.; Shahidi, F.,
Comparison of volatiles of cultured and wild sea bream (Sparus aurata) during storage in ice by dynamic headspace analysis/gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2005, 53, 7, 2616-2622, https://doi.org/10.1021/jf0483826
. [all data]
Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S.,
Analysis of the headspace aroma compounds of walnuts (Juglans regia L.),
Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477
. [all data]
Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y.,
Volatile Flavor Components in Crayfish Waste,
J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x
. [all data]
Tian, 1993
Tian, S.,
Analysis of the tower bottom oil of dimethylbenzene rectifying tower and C9 aromatic hydrocarbon fraction by capillary gas chromatography,
Chin. J. Chromatogr., 1993, 11, 4, 202-206. [all data]
Bermejo, Moinelo, et al., 1980
Bermejo, J.; Moinelo, S.R.; Suarez Canga, C.,
Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Instituto Nacional del Carbon y sus Derivados Francisco Pintado Fe (INCAR), La Corredoria, Oviedo, Espana, 1980, 13. [all data]
Sojak and Vigdergauz, 1978
Sojak, L.; Vigdergauz, M.S.,
Comparison of interpolation methods for the interpretation of retention data in gas chromatography,
J. Chromatogr., 1978, 148, 1, 159-167, https://doi.org/10.1016/S0021-9673(00)99332-4
. [all data]
Papazova and Pankova, 1975
Papazova, D.I.; Pankova, M.C.,
Identification of individual aromatic hydrocarbons in kerosene fraction (b.p. 150-250 °),
J. Chromatogr., 1975, 105, 2, 411-414, https://doi.org/10.1016/S0021-9673(01)82276-7
. [all data]
Ferrand, 1962
Ferrand, R.,
Gas phase chromatography using retention indices for the analysis of tars and their hydrogenation products,
Journees internationales d'etude des methodes de separation immediate at de chromatographie; Org. sur l'initiative du IX., 1962, 132-140. [all data]
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8
. [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T.,
Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline,
Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0
. [all data]
Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Perichet, C.; Lavoine, S.,
Characterization of the Chemical Composition of a Byproduct from Siam Benzoin Gum,
J. Agric. Food Chem., 2006, 54, 23, 8848-8854, https://doi.org/10.1021/jf061193y
. [all data]
Ramírez, Estévez, et al., 2004
Ramírez, M.R.; Estévez, M.; Morcuende, D.; Cava, R.,
Effect of the type of frying culinary fat on volatile compounds isolated in fried pork loin chops by using SPME-GC-MS,
J. Agric. Food Chem., 2004, 52, 25, 7637-7643, https://doi.org/10.1021/jf049207s
. [all data]
Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 2. Fraction boiling at 160-180 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 3, 136-140. [all data]
Wang and Fingas, 1995
Wang, Z.; Fingas, M.,
Differentiation of the source of spilled oil and monitoring of the oil weathering process using gas chromatography-mass spectrometry,
J. Chromatogr. A, 1995, 712, 2, 321-343, https://doi.org/10.1016/0021-9673(95)00546-Y
. [all data]
Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation,
J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205
. [all data]
Hartgers, Damste, et al., 1992
Hartgers, W.A.; Damste, J.S.S.; de Leeuw, J.W.,
Identification of C2-C4 alkylated benzenes in flash pyrolysates of kerogens, coals and asphaltenes,
J. Chromatogr., 1992, 606, 2, 211-220, https://doi.org/10.1016/0021-9673(92)87027-6
. [all data]
Vichi, Pizzale, et al., 2005
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; L´opez-Tamames, E.,
Simultaneous determination of volatile and semi-volatile aromatic hydrocarbons in virgin olive oil by headspace solid-phase microextraction coupled to gas chromatography/mass spectrometry,
J. Chromatogr. A, 2005, 1090, 1-2, 146-154, https://doi.org/10.1016/j.chroma.2005.07.007
. [all data]
Cornwell and Cordano, 2003
Cornwell, E.; Cordano, G.,
Nueva proposicion para predecir datos de retencion obtenidos mediante cromatografia de gases de hidrocarburos derivados de las naftas,
Revista de la Sociedad Quimica de Mexico, 2003, 47, 1, 38-43. [all data]
Xiuhua, Zhang, et al., 1996
Xiuhua, Zh.; Zhang, L.; Che, X.,
Prediction of the Kovats retention indexes of polysubstituted alkylbenzenes,
Chin. J. Chromatogr., 1996, 14, 4, 244-248. [all data]
Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R.,
Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas,
Eur Commission EUR, 1994, 549-568. [all data]
Matisová, Juranyiová, et al., 1991
Matisová, E.; Juranyiová, E.; Kurán, P.; Brandsteterová, E.; Kocan, A.; Holotík, S.,
Analysis of multicomponent mixtures by high-resolution capillary gas chromatography and combined gas chromatography-mass spectrometry. I. Aromatics in a hydrocarbon matrix,
J. Chromatogr., 1991, 552, 301-312, https://doi.org/10.1016/S0021-9673(01)95946-1
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
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