Benzene, propyl-
- Formula: C9H12
- Molecular weight: 120.1916
- IUPAC Standard InChI: InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
- IUPAC Standard InChIKey: ODLMAHJVESYWTB-UHFFFAOYSA-N
- CAS Registry Number: 103-65-1
- 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: n-Propylbenzene; Isocumene; Propylbenzene; 1-Phenylpropane; 1-Propylbenzene; Phenylpropane; UN 2364; Benzene, n-propyl-; NSC 16941
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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 | 947. | 950. | 943. | 953. | 957. |
| 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 | SPB-5 | SPB-5 | 5 % Phenyl methyl siloxane |
| Column length (m) | 50. | 60. | 30. | 60. | 15. |
| Carrier gas | Nitrogen | He | He | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.32 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 1.0 | 0.25 |
| Tstart (C) | 35. | 30. | 60. | 30. | 40. |
| Tend (C) | 200. | 260. | 250. | 230. | 250. |
| Heat rate (K/min) | 2. | 2. | 4. | 3. | 5. |
| Initial hold (min) | 15. | 2. | 2. | ||
| Final hold (min) | 10. | 28. | 20. | 2. | |
| I | 946. | 957.9 | 957. | 962. | 950. |
| Reference | Zhang, Ding, et al., 2009 | Leffingwell and Alford, 2005 | Pino, Marbot, et al., 2005 | Sebastian, Viallon-Fernandez, et al., 2003 | Hussam, Alauddin, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | BP-1 | DB-5MS | OV-1 | OV-101 |
| Column length (m) | 30. | 50. | 30. | 50. | |
| Carrier gas | He | He | Helium | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.20 | |
| Phase thickness (μm) | 0.75 | 0.25 | 0.50 | ||
| Tstart (C) | 50. | 50. | 40. | 50. | 30. |
| Tend (C) | 200. | 200. | 250. | 160. | 100. |
| Heat rate (K/min) | 3. | 5. | 3. | 2. | 1. |
| Initial hold (min) | 1. | 6. | |||
| Final hold (min) | |||||
| I | 954. | 949. | 943. | 943. | 939. |
| Reference | Isidorov and Jdanova, 2002 | Health Safety Executive, 2000 | Shoenmakers, Oomen, et al., 2000 | Orav, Kailas, et al., 1999 | Orav, Kailas, et al., 1999, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-1 | CP Sil 5 CB | DB-5 | DB-5 |
| Column length (m) | 30. | 60. | 25. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 1.2 | 0.45 | ||
| Tstart (C) | 35. | 30. | 0. | 40. | 40. |
| Tend (C) | 300. | 240. | 320. | 160. | 160. |
| Heat rate (K/min) | 10. | 3. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 10. | 5. | 5. | 5. |
| Final hold (min) | 10. | 10. | |||
| I | 960.7 | 946. | 936. | 966. | 964. |
| Reference | Wang and Fingas, 1995 | Ciccioli, Cecinato, et al., 1992 | Hartgers, Damste, et al., 1992 | Macku and Shibamoto, 1991 | Macku and Shibamoto, 1991, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Packed | Capillary |
|---|---|---|---|---|
| Active phase | DB-1 | SE-30 | Apiezon L | SF-96 |
| Column length (m) | 60. | 50. | 2. | 111. |
| Carrier gas | He | Nitrogen | ||
| Substrate | Chromosorb G-AW-DMCS | |||
| Column diameter (mm) | 0.32 | 0.5 | 0.76 | |
| Phase thickness (μm) | ||||
| Tstart (C) | 50. | 40. | 25. | |
| Tend (C) | 250. | 170. | 130. | |
| Heat rate (K/min) | 4. | 3. | 10. | 3. |
| Initial hold (min) | 0.1 | 3. | 8. | |
| Final hold (min) | 5. | 40. | ||
| I | 937. | 940. | 940. | 945. |
| Reference | Flath, Mon, et al., 1983 | Heydanek and McGorrin, 1981 | Dahlmann, Köser, et al., 1979 | Donetzhuber, Johansson, et al., 1976 |
| Comment | 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]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of genipap (Genipa americana L.) fruit from Cuba,
Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491
. [all data]
Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L.,
Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511
. [all data]
Hussam, Alauddin, et al., 2002
Hussam, A.; Alauddin, M.; Khan, A.H.; Chowdhury, D.; Bibi, H.; Bhattacharjee, M.; Sultana, S.,
Solid phase micriextraction: measurement of volatile organic compounds (VOCs) in Dhaka city air pollution,
J. Environ. Sci. Health, 2002, A73, 7, 1223-1239, https://doi.org/10.1081/ESE-120005982
. [all data]
Isidorov and Jdanova, 2002
Isidorov, V.; Jdanova, M.,
Volatile organic compounds from leaves litter,
Chemosphere, 2002, 48, 9, 975-979, https://doi.org/10.1016/S0045-6535(02)00074-7
. [all data]
Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]
Shoenmakers, Oomen, et al., 2000
Shoenmakers, P.J.; Oomen, J.L.M.M.; Blomberg, J.; Genuit, W.; van Velzen, G.,
Comparison of comprehensive two-dimensional gas chromatography and gas chromatography-mass spectrometry for the characterization of complex hydrocarbon mixtures,
J. Chromatogr. A, 2000, 892, 1-2, 29-46, https://doi.org/10.1016/S0021-9673(00)00744-5
. [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]
Orav, Kailas, et al., 1999, 2
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [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]
Macku and Shibamoto, 1991
Macku, C.; Shibamoto, T.,
Headspace volatile compounds formed from heated corn oil and corn oil with glycine,
J. Agric. Food Chem., 1991, 39, 7, 1265-1269, https://doi.org/10.1021/jf00007a014
. [all data]
Macku and Shibamoto, 1991, 2
Macku, C.; Shibamoto, T.,
Volatile sulfur-containing compounds generated from the thermal interaction of corn oil and cysteine,
J. Agric. Food Chem., 1991, 39, 11, 1987-1989, https://doi.org/10.1021/jf00011a021
. [all data]
Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W.,
Volatile components of Acacia sp. blossoms,
J. Agric. Food Chem., 1983, 31, 6, 1167-1170, https://doi.org/10.1021/jf00120a008
. [all data]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016
. [all data]
Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H.,
Multiple korrelation von retentionsindizes,
Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943
. [all data]
Donetzhuber, Johansson, et al., 1976
Donetzhuber, A.; Johansson, K.; Sandstroem, C.,
Gas phase characterization of wood, pulp, and paper,
Appl. Polymer Symp., 1976, 28, 889-901. [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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