Benzene, (1-methylpropyl)-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChIKey: ZJMWRROPUADPEA-UHFFFAOYSA-N
- CAS Registry Number: 135-98-8
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Benzene, sec-butyl-; sec-Butylbenzene; 2-Phenylbutane; (1-Methylpropyl)benzene; Secondary butylbenzene; UN 2709; s-Butylbenzene; α-methylpropylbenzene
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Normal alkane 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 | SE-30 | Polymethylsiloxane, (PMS-20000) | OV-101 | DB-1 | Methyl Silicone |
Column length (m) | |||||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | |||||
Phase thickness (μm) | |||||
Program | not specified | not specified | not specified | not specified | not specified |
I | 1011. | 997. | 1006. | 993. | 998. |
Reference | Vinogradov, 2004 | Cornwell and Cordano, 2003 | Zhu and Wang, 2001 | Zhu and Wang, 2001 | Spieksma, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | SE-30 | DB-1 | DB-1 | OV-1 |
Column length (m) | 60. | 100. | 60. | ||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.5 | |||
Program | not specified | not specified | not specified | not specified | 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C |
I | 1006. | 997. | 995. | 994. | 1005. |
Reference | Xiuhua, Zhang, et al., 1996 | Xiuhua, Zhang, et al., 1996 | Ciccioli, Cecinato, et al., 1994 | Hathcock and Bertsch, 1993 | Engewald and Maurer, 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-1 | OV-1 | OV-1 | Squalane | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
Column length (m) | 60. | 60. | 60. | 50. | |
Carrier gas | Hydrogen | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | |||||
Program | 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C. | 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C. | 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C | not specified | not specified |
I | 1012. | 1008.7 | 1010.7 | 990. | 993. |
Reference | Engewald and Maurer, 1990 | Engewald and Maurer, 1990 | Engewald and Maurer, 1990 | Dimov and Mekenyan, 1989 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed | Packed |
---|---|---|---|---|
Active phase | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | Methyl Silicone | SE-30 | Squalane |
Column length (m) | 50. | 6.1 | 3.0 | |
Carrier gas | Hydrogen | N2 | N2 | |
Substrate | Chromosorb W | Embacel | ||
Column diameter (mm) | 0.32 | |||
Phase thickness (μm) | ||||
Program | not specified | not specified | 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) | 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
I | 996. | 1002. | 1020. | 994. |
Reference | Waggott and Davies, 1984 | Bonchev, Mekenjan, et al., 1979 | Robinson and Odell, 1971 | Robinson and Odell, 1971 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Cornwell and Cordano, 2003
Cornwell, E.; Cordano, G.,
Nueva proposicion para predecir datos de retencion obtenidos mediante cromatografia de gases de hidrocarburos derivados de las naftas,
Revista de la Sociedad Quimica de Mexico, 2003, 47, 1, 38-43. [all data]
Zhu and Wang, 2001
Zhu, X.; Wang, W.,
The relationship between partition coefficients of hydrocarbons and their retention indices,
Acta Scientific Circumstantiae, 2001, 21, 5, 631-633. [all data]
Spieksma, 1999
Spieksma, W.,
Determination of vapor liquid equilibrium from the Kovats retention index on dimethylsilicone using the Wilson mixing tool,
J. Hi. Res. Chromatogr., 1999, 22, 10, 565-588, https://doi.org/10.1002/(SICI)1521-4168(19991001)22:10<565::AID-JHRC565>3.0.CO;2-2
. [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]
Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R.,
Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas,
Eur Commission EUR, 1994, 549-568. [all data]
Hathcock and Bertsch, 1993
Hathcock, S.; Bertsch, W.,
Analysis of volatiles associated with industrial scale processing of expanded polystyrene. Part II: Identification and quantitation,
J. Hi. Res. Chromatogr., 1993, 16, 11, 651-659, https://doi.org/10.1002/jhrc.1240161106
. [all data]
Engewald and Maurer, 1990
Engewald, W.; Maurer, T.,
Enhanced possibilities for identification by the use of series-coupled capillary gas chromatographic columns. I. General exposition and application of the retention index concept,
J. Chromatogr., 1990, 520, 3-13, https://doi.org/10.1016/0021-9673(90)85078-A
. [all data]
Dimov and Mekenyan, 1989
Dimov, N.; Mekenyan, Ov.,
Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity,
J. Chromatogr., 1989, 471, 227-236, https://doi.org/10.1016/S0021-9673(00)94170-0
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Bonchev, Mekenjan, et al., 1979
Bonchev, D.; Mekenjan, Ov.; Protic, G.; Trinajstic, N.,
Application of Topological Indices to Gas Chromatographic Data: Calculation of the Retention Indices of Isomeric Alkylbenzenes,
J. Chromatogr., 1979, 176, 2, 149-156, https://doi.org/10.1016/S0021-9673(00)85645-9
. [all data]
Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L.,
A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices,
J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.