Benzene
- Formula: C6H6
- Molecular weight: 78.1118
- IUPAC Standard InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N
- CAS Registry Number: 71-43-2
- 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. - Isotopologues:
- Other names: [6]Annulene; Benzol; Benzole; Coal naphtha; Cyclohexatriene; Phenyl hydride; Pyrobenzol; Pyrobenzole; Benzolene; Bicarburet of hydrogen; Carbon oil; Mineral naphtha; Motor benzol; Benzeen; Benzen; Benzin; Benzine; Benzolo; Fenzen; NCI-C55276; Phene; Rcra waste number U019; UN 1114; NSC 67315; 1,3,5-Cyclohexatriene
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Kovats' RI, non-polar column, custom temperature program
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 | BP-1 | BP-5 | BPX-5 | HP-1 | Petrocol DH-100 |
Column length (m) | 30. | 100. | |||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | |||
Phase thickness (μm) | 0.25 | ||||
Program | not specified | not specified | not specified | 35C => 2C/min => 100C => 5C/min => 230C(2min) | 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
I | 647. | 667. | 664. | 629. | 649.7 |
Reference | SGE, 2005 | SGE, 2005 | SGE, 2005 | Wongpornchai, Sriseadka, et al., 2003 | Haagen-Smit Laboratory, 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | DB-1 | Apiezon M | SPB-1 | Squalane | SE-30 |
Column length (m) | 60. | 2. | 60. | 100. | 2. |
Carrier gas | He | N2 | N2 | ||
Substrate | Chromosorb W | Chromosrb G | |||
Column diameter (mm) | 0.32 | 0.75 | 0.25 | ||
Phase thickness (μm) | 1.0 | ||||
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 | not specified | not specified | not specified | not specified |
I | 649. | 681.3 | 661.6 | 652. | 650. |
Reference | Hoekman, 1993 | Jalali-Heravi and Garkani-Nejad, 1993 | Castello, Timossi, et al., 1988 | Papazova and Pankova, 1975 | Moffat, Stead, et al., 1974 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
SGE, 2005
SGE,
Guide to GC column selection, 2005, retrieved from http://www.sge.com/htm/support/productselection/prodselgc.asp. [all data]
Wongpornchai, Sriseadka, et al., 2003
Wongpornchai, S.; Sriseadka, T.; Choonvisase, S.,
Identification and quantitation of the rice aroma compound, 2-acetyl-1-pyrroline, in bread flowers (Vallaris glabra Ktze),
J. Agric. Food Chem., 2003, 51, 2, 457-462, https://doi.org/10.1021/jf025856x
. [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]
Jalali-Heravi and Garkani-Nejad, 1993
Jalali-Heravi, M.; Garkani-Nejad, Z.,
Prediction of gas chromatographic retention indices of some benzene derivatives,
J. Chromatogr., 1993, 648, 2, 389-393, https://doi.org/10.1016/0021-9673(93)80421-4
. [all data]
Castello, Timossi, et al., 1988
Castello, G.; Timossi, A.; Gerbino, T.C.,
Gas Chromatographic Separation of Halogenated Compounds on Non-Polar and Polar Wide Bore Capillary Columns,
J. Chromatogr., 1988, 454, 129-143, https://doi.org/10.1016/S0021-9673(00)88608-2
. [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]
Moffat, Stead, et al., 1974
Moffat, A.C.; Stead, A.H.; Smalldon, K.W.,
Optimum use of paper, thin-layer and gas-liquid chromatography for the identification of basic drugs. III. Gas-liquid chromatography,
J. Chromatogr., 1974, 90, 1, 19-33, https://doi.org/10.1016/S0021-9673(01)94770-3
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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