Benzene, 1-methyl-4-propyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChIKey: JXFVMNFKABWTHD-UHFFFAOYSA-N
- CAS Registry Number: 1074-55-1
- 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: Toluene, p-propyl-; p-Propyltoluene; 1-Methyl-4-propylbenzene; p-n-Propyl toluene; 4-n-Propyltoluene; 1-Methyl-4-n-propylbenzene; 4-Propyl-1-methylbenzene; 4-propyltoluene
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Normal alkane RI, non-polar column, temperature ramp
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 | Polydimethyl siloxane: CP-Sil 5 CB | HP-5 MS | Petrocol DH | VF-5 MS | VF-5 MS |
Column length (m) | 60. | 30. | 100. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1.0 | 0.25 | 0.50 | 0.25 | 0.25 |
Tstart (C) | 45. | 35. | 20. | 30. | 30. |
Tend (C) | 210. | 300. | 220. | 260. | 260. |
Heat rate (K/min) | 3.6 | 3. | 15. | 2. | 2. |
Initial hold (min) | 1.45 | 5. | 15. | ||
Final hold (min) | 2.72 | 15. | 30. | 28. | 28. |
I | 1047. | 1048. | 1046. | 1056. | 1059. |
Reference | Bramston-Cook, 2013 | Kotowska, Zalikowski, et al., 2012 | Supelco, 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PONA | HP-5 | DB-1 | CP Sil 5 CB | OV-101 |
Column length (m) | 50. | 30. | 60. | 25. | 50. |
Carrier gas | Nitrogen | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.32 | 0.32 | 0.20 |
Phase thickness (μm) | 0.50 | 0.25 | 1.2 | 0.45 | |
Tstart (C) | 35. | 35. | 30. | 0. | 80. |
Tend (C) | 200. | 300. | 240. | 320. | 190. |
Heat rate (K/min) | 2. | 10. | 3. | 3. | 1. |
Initial hold (min) | 15. | 2. | 10. | 5. | |
Final hold (min) | 10. | 10. | 10. | ||
I | 1049. | 1061.3 | 1047. | 1038. | 1046. |
Reference | Zhang, Ding, et al., 2009 | Wang and Fingas, 1995 | Ciccioli, Cecinato, et al., 1992 | Hartgers, Damste, et al., 1992 | Matisová, Kovacicová, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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