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, polar column, isothermal
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 | Packed | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | ZB-Wax | ZB-Wax | ZB-Wax | DB-Wax |
Column length (m) | 1. | 60. | 60. | 60. | 30. |
Carrier gas | |||||
Substrate | Chromaton N-AW | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Temperature (C) | 160. | 100. | 120. | 140. | 40. |
I | 979. | 979.4 | 988.6 | 999.5 | 947.77 |
Reference | Kurbatova, Finkelstein, et al., 2004 | Pérez-Parajón, Santiuste, et al., 2004 | Pérez-Parajón, Santiuste, et al., 2004 | Pérez-Parajón, Santiuste, et al., 2004 | Ciaznska-Halarewicz and Kowalska, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | |||||
Temperature (C) | 50. | 60. | 70. | 80. | 90. |
I | 953.66 | 963.67 | 971.57 | 980.53 | 989.54 |
Reference | Ciaznska-Halarewicz and Kowalska, 2003 | Ciaznska-Halarewicz and Kowalska, 2003 | Ciaznska-Halarewicz and Kowalska, 2003 | Ciaznska-Halarewicz and Kowalska, 2003 | Ciaznska-Halarewicz and Kowalska, 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M | PEG-40M |
Column length (m) | 30. | 30. | 15. | 15. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.5 | 0.5 | 0.3 |
Phase thickness (μm) | 0.4 | ||||
Temperature (C) | 100. | 110. | 150. | 150. | 150. |
I | 998.62 | 1007.64 | 970. | 971. | 925. |
Reference | Ciaznska-Halarewicz and Kowalska, 2003 | Ciaznska-Halarewicz and Kowalska, 2003 | Egazaryants and Maximov, 1998 | Egazaryants and Maximov, 1998 | Terenina, Zhuravieva, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | PEG-20M | PEG-20M | PEG-20M | Supelcowax-10 |
Column length (m) | 30. | 50. | 50. | 50. | 60. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.2 | 0.2 | 0.2 | 0.75 |
Phase thickness (μm) | 0.25 | 0.13 | 0.19 | 0.22 | |
Temperature (C) | 60. | 80. | 80. | 80. | 60. |
I | 955.5 | 945.2 | 958.2 | 959.5 | 964. |
Reference | Castello, Vezzani, et al., 1994 | Orav, Kuningas, et al., 1994 | Orav, Kuningas, et al., 1994 | Orav, Kuningas, et al., 1994 | Castello, Vezzani, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed | Packed | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 2. | 3.5 | 3.7 | ||
Carrier gas | N2 | N2 | |||
Substrate | Chromosorb W AW DMCS | Chromosorb W-AW | Chromosorb G AW DCMS | ||
Column diameter (mm) | 6.4 | ||||
Phase thickness (μm) | |||||
Temperature (C) | 120. | 80. | 150. | 100. | 110. |
I | 992. | 952. | 971. | 968.66 | 972.80 |
Reference | Fernández-Sánchez, Fernández-Torres, et al., 1987 | Kersten and Poole, 1987 | Haken and Vernon, 1986 | Podmaniczky, Szepesy, et al., 1985 | Podmaniczky, Szepesy, et al., 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | PEG-20M |
Column length (m) | 2. | ||||
Carrier gas | N2 | ||||
Substrate | Chromaton N AW HMDS | ||||
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Temperature (C) | 120. | 70. | 80. | 90. | 120. |
I | 976.91 | 957.21 | 960.69 | 964.88 | 979. |
Reference | Podmaniczky, Szepesy, et al., 1985 | Podmaniczky, Szepesy, et al., 1985 | Podmaniczky, Szepesy, et al., 1985 | Podmaniczky, Szepesy, et al., 1985 | Stolyarov and Kartsova, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed | Packed | Packed | Packed |
---|---|---|---|---|---|
Active phase | PEG-20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 30. | 2. | 2. | 2. | 2. |
Carrier gas | N2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.3 | ||||
Phase thickness (μm) | |||||
Temperature (C) | 70. | 100. | 100. | 100. | 100. |
I | 954.5 | 965.7 | 973.3 | 979.3 | 982.6 |
Reference | Tóth, 1983 | Vernon and Suratman, 1983 | Vernon and Suratman, 1983 | Vernon and Suratman, 1983 | Vernon and Suratman, 1983 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed | Packed | Packed | Packed |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 2. | 2. | 2. | 2. | 2. |
Carrier gas | He | He | He | He | He |
Substrate | A silanized white support | A silanized white support | A silanized white support | A silanized white support | A silanized white support |
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Temperature (C) | 100. | 110. | 120. | 130. | 150. |
I | 969.7 | 974.2 | 978.8 | 983.4 | 992.6 |
Reference | Vernon and Suratman, 1983, 2 | Vernon and Suratman, 1983, 2 | Vernon and Suratman, 1983, 2 | Vernon and Suratman, 1983, 2 | Vernon and Suratman, 1983, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Capillary | Packed | Packed | Packed |
---|---|---|---|---|---|
Active phase | Carbowax 20M | PEG-20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 2. | 75. | |||
Carrier gas | N2 | ||||
Substrate | Kieselgur (60-100 mesh) | Chromosorb W, AW-DMCS | Chromosorb G | Chromosorb G | |
Column diameter (mm) | 0.25 | ||||
Phase thickness (μm) | |||||
Temperature (C) | 75. | 100. | 150. | 115. | 115. |
I | 959. | 955. | 967.0 | 972.6 | 973.4 |
Reference | Goebel, 1982 | Morishita, Okano, et al., 1980 | Ellis and Still, 1979 | Ellis and Still, 1979 | Ellis and Still, 1979 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Capillary | Capillary | Packed | Packed |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | PEG-2000 | PEG-2000 |
Column length (m) | 100. | 100. | 3. | 3. | |
Carrier gas | N2 | He | He | ||
Substrate | Chromosorb W, AW-DMCS | Celite 545 (44-60 mesh) | Celite 545 (44-60 mesh) | ||
Column diameter (mm) | 0.23 | 0.2 | |||
Phase thickness (μm) | |||||
Temperature (C) | 165. | 100. | 90. | 150. | 152. |
I | 985.7 | 947.2 | 933.4 | 987. | 978. |
Reference | Ellis and Still, 1979, 2 | Engewald and Wennrich, 1976 | Döring, Estel, et al., 1974 | Anderson, Jurel, et al., 1973 | Anderson, Jurel, et al., 1973 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed | Packed | Packed | Packed |
---|---|---|---|---|---|
Active phase | PEG-2000 | PEG-2000 | PEG-2000 | PEG-20M | PEG-20M |
Column length (m) | 3. | 3. | 3. | 2. | 2. |
Carrier gas | He | He | He | N2 | N2 |
Substrate | Celite 545 (44-60 mesh) | Celite 545 (44-60 mesh) | Celite 545 (44-60 mesh) | Chromosorb W-AW | Chromosorb W-AW |
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Temperature (C) | 179. | 180. | 200. | 150. | 170. |
I | 1005. | 991. | 1000. | 970. | 985. |
Reference | Anderson, Jurel, et al., 1973 | Anderson, Jurel, et al., 1973 | Anderson, Jurel, et al., 1973 | Tibor and Anna, 1971 | Tibor and Anna, 1971 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Packed | Packed | Packed |
---|---|---|---|---|
Active phase | Polyethylene Glycol 4000 | Polyethylene Glycol 4000 | Polyethylene Glycol 4000 | Polyethylene Glycol 4000 |
Column length (m) | 6. | 6. | 6. | 6. |
Carrier gas | ||||
Substrate | Chromosorb P | Chromosorb P | Chromosorb P | Chromosorb P |
Column diameter (mm) | ||||
Phase thickness (μm) | ||||
Temperature (C) | 100. | 120. | 140. | 80. |
I | 974. | 981. | 987. | 967. |
Reference | Bonastre and Grenier, 1967 | Bonastre and Grenier, 1967 | Bonastre and Grenier, 1967 | Bonastre and Grenier, 1967 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kurbatova, Finkelstein, et al., 2004
Kurbatova, S.V.; Finkelstein, E.E.; Kolosova, E.A.; Kartashev, A.V.; Rashkin, S.V.,
Structural analogy method in studies of adamantanes,
J. Struct. Chem., 2004, 45, 1, 144-150, https://doi.org/10.1023/B:JORY.0000041513.82837.4e
. [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]
Ciaznska-Halarewicz and Kowalska, 2003
Ciaznska-Halarewicz, K.; Kowalska, T.,
A study of the dependence of the Kováts retention index on the temperature of analysis on stationary phases of different polarity,
Acta Chromatogr., 2003, 13, 69-80. [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]
Terenina, Zhuravieva, et al., 1997
Terenina, M.B.; Zhuravieva, I.L.; Golovnya, R.V.,
Peculiar features of sorption of positional isomers of formyl-, acetyl-, and aminopyridines in capillary gas-liquid chromatography,
Russ. Chem. Bull. (Engl. Transl.), 1997, 46, 1, 86-89, https://doi.org/10.1007/BF02495353
. [all data]
Castello, Vezzani, et al., 1994
Castello, G.; Vezzani, S.; Moretti, P.,
The selectivity and polarity of carbon layer open tubular capillary columns modified with a polar liquid phase,
J. Hi. Res. Chromatogr., 1994, 17, 1, 31-36, https://doi.org/10.1002/jhrc.1240170108
. [all data]
Orav, Kuningas, et al., 1994
Orav, A.; Kuningas, K.; Kailas, T.; Koplimets, E.; Rang, S.,
Effect of adsorption on the retention values in capillary columns coated with OV-225 and PEG 20M,
J. Chromatogr. A, 1994, 659, 1, 143-150, https://doi.org/10.1016/0021-9673(94)85016-X
. [all data]
Castello, Vezzani, et al., 1991
Castello, G.; Vezzani, S.; Gerbino, T.,
Gas chromatographic separation and automatic identification of complex mixtures of organic solvents in indrustrial wates,
J. Chromatogr., 1991, 585, 2, 273-280, https://doi.org/10.1016/0021-9673(91)85088-W
. [all data]
Fernández-Sánchez, Fernández-Torres, et al., 1987
Fernández-Sánchez, E.; Fernández-Torres, A.; García-Domínguez, J.A.; García-Muñoz, J.; Menéndez, V.; Molera, M.J.; Santiuste, J.M.; Pertierra-Rimada, E.,
Mixed stationary phases in gas-liquid chromatography. Partition coefficients and retention indices in OV-101-OV-25, OV-101-Carbowax 20M and OV-225-SP-2340 mixtures,
J. Chromatogr., 1987, 410, 13-29, https://doi.org/10.1016/S0021-9673(00)90031-1
. [all data]
Kersten and Poole, 1987
Kersten, B.R.; Poole, C.F.,
Influence of concurrent retention mechanisms on the determination of stationary phase selectivity in gas chromatography,
J. Chromatogr., 1987, 399, 1-31, https://doi.org/10.1016/S0021-9673(00)96108-9
. [all data]
Haken and Vernon, 1986
Haken, J.K.; Vernon, F.,
Gas chromatography of halogenated derivatives of cyclohexane, benzene and anisole,
J. Chromatogr., 1986, 361, 57-61, https://doi.org/10.1016/S0021-9673(01)86893-X
. [all data]
Podmaniczky, Szepesy, et al., 1985
Podmaniczky, L.; Szepesy, L.; Lakszner, K.; Schomburg, G.,
Relationship between thermodynamic characteristics and isothermal retention indices,
Chromatographia, 1985, 20, 10, 623-628, https://doi.org/10.1007/BF02263223
. [all data]
Stolyarov and Kartsova, 1984
Stolyarov, B.V.; Kartsova, L.A.,
Comparative experimental estimation of polarity and selectivity of stationary phases in gas chromatography by means of Forschneider-McReynolds constants and on the basis of thermodynamic characteristics,
Zh. Anal. Khim., 1984, 39, 5, 883-889. [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]
Vernon and Suratman, 1983
Vernon, F.; Suratman, J.B.,
Errors in the measurement of retention indices on packed columns,
Chromatographia, 1983, 17, 11, 597-599, https://doi.org/10.1007/BF02261942
. [all data]
Vernon and Suratman, 1983, 2
Vernon, F.; Suratman, J.B.,
The retention index system applied to alkylbenzenes and monosubstituted derivatives,
Chromatographia, 1983, 17, 11, 600-604, https://doi.org/10.1007/BF02261943
. [all data]
Goebel, 1982
Goebel, K.-J.,
Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe,
J. Chromatogr., 1982, 235, 1, 119-127, https://doi.org/10.1016/S0021-9673(00)95793-5
. [all data]
Morishita, Okano, et al., 1980
Morishita, F.; Okano, T.; Kojima, T.,
Retention indices of monocyclic monoterpene hydrocarbons,
Bunseki Kagaku, 1980, 29, 1, 48-53, https://doi.org/10.2116/bunsekikagaku.29.48
. [all data]
Ellis and Still, 1979
Ellis, T.S.; Still, R.H.,
Thermal degradation of polymers. XXI. Vacuum pyrolysis of poly(m-N,N-dimethylaminostyrene); the products volatile at pyrolysis temperature, liquid at room temperature,
J. Appl. Polym. Sci., 1979, 23, 10, 2837-2854, https://doi.org/10.1002/app.1979.070231002
. [all data]
Ellis and Still, 1979, 2
Ellis, T.S.; Still, R.H.,
Thermal degradation of polymers. XXIII. Vacuum pyrolysis of poly(p-N,N-dimethylaminostyrene); the products volatile at pyrolysis temperature, liquid or gaseous at room temperature,
J. Appl. Polym. Sci., 1979, 23, 10, 2871-2880, https://doi.org/10.1002/app.1979.070231004
. [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]
Döring, Estel, et al., 1974
Döring, C.E.; Estel, D.; Fischer, R.,
Kapillar-gaschromatographische Charakterisierung von C10-bis C12-Aromaten,
J. Prakt. Chem., 1974, 316, 1, 1-12, https://doi.org/10.1002/prac.19743160102
. [all data]
Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L.,
Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases,
Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]
Tibor and Anna, 1971
Tibor, T.; Anna, B.,
Gázkromatográfiás retenció és a kémiai szerkezet, I.,
Magy. Kem. Foly., 1971, 77, 576-587. [all data]
Bonastre and Grenier, 1967
Bonastre, J.; Grenier, P.,
Contribution à l'étude de la polarité des phases stationnaires en chromatographie gas-liquide. I. Calcul des coefficients d'activité relatifs et des indices de rétention de quelques hydrocarbures aromatiques,
Bull. Soc. Chim. Fr., 1967, 4, 1395-1405. [all data]
Notes
Go To: Top, Kovats' RI, polar column, isothermal, References
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