Benzene, 2,4-diethyl-1-methyl-
- Formula: C11H16
- Molecular weight: 148.2447
- IUPAC Standard InChIKey: PZMJNJDRDKPVLB-UHFFFAOYSA-N
- CAS Registry Number: 1758-85-6
- 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: 1,3-Diethyl-4-methylbenzene; 1-Methyl-2,4-di-Ethylbenzene; Benzene, 1,3-diethyl-4-methyl
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IR Spectrum
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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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
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Origin | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 113580 |
Gas Chromatography
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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. | 1149.1 | Matisová and Kurán, 1990 | 52. m/0.25 mm/0.38 μm, N2 |
Capillary | OV-1 | 100. | 1148.7 | Matisová and Kurán, 1990 | 52. m/0.25 mm/0.38 μm, H2 |
Capillary | PONA | 100. | 1149.6 | Matisová and Kurán, 1990 | 50. m/0.2 mm/0.5 μm, H2 |
Capillary | OV-101 | 100. | 1149. | Matisová, Kovacicová, et al., 1989 | He; Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 1160. | Matisová, Moravcová, et al., 1988 | N2; Column length: 278. m; Column diameter: 0.25 mm |
Capillary | Apolane | 120. | 1176. | Matisová, Moravcová, et al., 1988 | N2; Column length: 200. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 1154. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 90. | 1393.1 | Döring, Estel, et al., 1974 | Column length: 100. m; Column diameter: 0.2 mm |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 140. | 1156. | Protic, Svob, et al., 1980 | He; 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 | 1157. | 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 |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 1152. | Zenkevich and Tsibulskaya, 1997 | Program: not specified |
Capillary | SE-30 | 1149. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-40M | 100. | 1440. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 100. | 1441. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 120. | 1455. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 140. | 1468. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 160. | 1480. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 80. | 1428. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | Carbowax 20M | 90. | 1393. | Sutter, Peterson, et al., 1997 |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1393. | Ivanciuc, Ivanciuc, et al., 2001 | Program: not specified |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Matisová and Kurán, 1990
Matisová, E.; Kurán, P.,
Reproducibility of retention indices measurement of alkylbenzenes on crosslinked methyl silicone phase fused silica capillaries,
Chromatographia, 1990, 30, 5/6, 328-332, https://doi.org/10.1007/BF02319717
. [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, Moravcová, et al., 1988
Matisová, E.; Moravcová, A.; Krupcík; Cellár, P.; Leclercq, P.A.,
Problems with the reproducibility of retention data on capillary columns with hydrocarbon C87 as the stationary phase,
J. Chromatogr., 1988, 454, 65-71, https://doi.org/10.1016/S0021-9673(00)88602-1
. [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]
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]
Protic, Svob, et al., 1980
Protic, G.; Svob, V.; Deur-Siftar, D.,
Mass spectrometric and gas chromatographic data in hydrocarbon analyse,
Sci. Papers of the Prague Institute of Chem. Technol., 1980, D42, 139-147. [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]
Zenkevich and Tsibulskaya, 1997
Zenkevich, I.G.; Tsibulskaya, I.A.,
Group identification of organic compounds by gas-chromatographic retention indices and partition coefficients in the hexane-nitromethane system,
Zh. Fiz. Khim., 1997, 71, 2, 341-346. [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]
Nesterov, Nesterova, et al., 2000
Nesterov, I.A.; Nesterova, T.N.; Pimerzin, A.A.; Tsvetkov, V.S.,
Thermodynamics of alkylbenzene sorption and evaporation. IV. Enthalpies of evaporation and thermodynamics chracteristics of sorption by stationary phases OV-101 and PEG-40M,
Izvestia vysshikh uchebnykh zavedenii. Khimia i khimicheskaia tekhnologia (Chemistry and chemical technology), 2000, 43, 4, 39-45. [all data]
Sutter, Peterson, et al., 1997
Sutter, J.M.; Peterson, T.A.; Jurs, P.C.,
Prediction of gas chromatographic retention indices of alkylbenzenes,
Anal. Chim. Acta., 1997, 342, 2-3, 113-122, https://doi.org/10.1016/S0003-2670(96)00578-8
. [all data]
Ivanciuc, Ivanciuc, et al., 2001
Ivanciuc, O.; Ivanciuc, T.; Klein, D.J.; Seitz, W.A.; Balaban, A.T.,
Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors,
SAR QSAR Environ. Res., 2001, 11, 5-6, 419-452, https://doi.org/10.1080/10629360108035362
. [all data]
Notes
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