Pentane, 2-methyl-
- Formula: C6H14
- Molecular weight: 86.1754
- IUPAC Standard InChIKey: AFABGHUZZDYHJO-UHFFFAOYSA-N
- CAS Registry Number: 107-83-5
- 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: Isohexane; 2-Methylpentane; (CH3)2CH(CH2)2CH3; Methyl pentane; UN 1208; UN 2462; Esano isomeri
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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 | HP-5 | Nonpolar | Methyl Silicone | Methyl Silicone | HP-5 |
Column length (m) | 60. | 60. | 50. | ||
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.25 | 1.0 | 1.05 | ||
Program | 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) | not specified | not specified | -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
I | 559. | 560. | 570. | 570. | 558. |
Reference | Rotsatschakul, Visesanguan, et al., 2009 | Staples and Zeiger, 2008 | Feng and Mu, 2007 | Blunden, Aneja, et al., 2005 | Garcia-Estaban, Ansorena, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | OV-101 | Polydimethyl siloxane | PONA | Methyl Silicone |
Column length (m) | 50. | 100. | |||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | ||||
Phase thickness (μm) | 1.05 | 0.50 | |||
Program | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) | not specified | not specified | not specified | not specified |
I | 558. | 570. | 570. | 573. | 571. |
Reference | Garcia-Estaban, Ansorena, et al., 2004, 2 | Du and Liang, 2003 | Junkes, Castanho, et al., 2003 | Perkin Elmer Instruments, 2002 | N/A |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Polydimethyl siloxanes | DB-1 | Methyl Silicone | SPB-1 | DB-5 |
Column length (m) | 60. | 50. | |||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.32 | |||
Phase thickness (μm) | 5. | 0.25 | |||
Program | not specified | not specified | not specified | 40C(6min) => 5C/min => 80C => 10C/min => 200C | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
I | 562. | 570. | 571. | 566. | 559. |
Reference | Yin, Guo, et al., 2001 | Zhu and Wang, 2001 | Spieksma, 1999 | Flanagan, Streete, et al., 1997 | Mateo and Zumalacárregui, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-1 | DB-1 | OV-101 | SPB-1 |
Column length (m) | 50. | 60. | 60. | 60. | |
Carrier gas | He | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.53 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 5.0 | |
Program | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) | not specified | 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min | not specified | 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
I | 560. | 560. | 560. | 568. | 566. |
Reference | Mateo and Zumalacárregui, 1996 | Ciccioli, Cecinato, et al., 1994 | Ciccioli, Brancaleoni, et al., 1993 | Skrbic and Cvejanov, 1993 | Strete, Ruprah, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | DB-1 | DB-1 | SE-52 | Squalane |
Column length (m) | 60. | 30. | 30. | 100. | |
Carrier gas | Helium | H2 | H2 | ||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.25 | 0.25 | 0.50 | |
Phase thickness (μm) | 5.0 | 0.25 | 0.25 | ||
Program | not specified | 30C (2min) => 2C/min => 150C => 4C/min => 250C | 30C (2min) => 2C/min => 150C => 4C/min => 250C | not specified | not specified |
I | 610. | 556. | 560. | 566. | 560. |
Reference | Strete, Ruprah, et al., 1992 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | van Langenhove and Schamp, 1986 | Petrov, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed | Packed | Packed | Packed |
---|---|---|---|---|---|
Active phase | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | Apieson L | SE-30 | Squalane | SE-30 |
Column length (m) | 50. | 20. | 6.1 | 3.0 | 6.1 |
Carrier gas | Hydrogen | N2 | N2 | ||
Substrate | Chromosorb W | Chromosorb W | Embacel | Chrom W | |
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) | 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C) |
I | 562. | 560. | 576. | 569. | 576. |
Reference | Waggott and Davies, 1984 | Kojima, Fujii, et al., 1980 | Robinson and Odell, 1971 | Robinson and Odell, 1971 | Robinson and Odell, 1971, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed |
---|---|
Active phase | Squalane |
Column length (m) | 3.0 |
Carrier gas | |
Substrate | Embacel |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
I | 569. |
Reference | Robinson and Odell, 1971, 2 |
Comment | 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.
Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S.,
Changes in volatile compounds during fermentation of nham (Thai fermented sausage),
Int. Food Res. J., 2009, 16, 391-414. [all data]
Staples and Zeiger, 2008
Staples, E.; Zeiger, K.,
On-Site Measurements of VOCs and Odors from Metal Casting Operations Using an Ultra-Fast Gas Chromatograph, 2008, retrieved from http://www.estcal.com/TechPapers/Industrial/FoundryOdors.doc. [all data]
Feng and Mu, 2007
Feng, H.; Mu, L.-L.,
Quantitative structure-retention relationships for alkane and its derivatives based on electrotopological state index and molecular shape index,
Chem. Ind. Engineering (Chinese), 2007, 24, 2, 161-168. [all data]
Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A.,
Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina,
Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053
. [all data]
Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J.,
Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham,
J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826
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Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J.,
Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME),
Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007
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Du and Liang, 2003
Du, Y.; Liang, Y.,
Data mining for seeking accurate quantitative relationship between molecular structure and GC retention indices of alkanes by projection pursuit,
Comput. Biol. Chem., 2003, 27, 3, 339-353, https://doi.org/10.1016/S1476-9271(02)00081-6
. [all data]
Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F.,
Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies,
Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]
Perkin Elmer Instruments, 2002
Perkin Elmer Instruments,
Detailed hydrocarbon analysis (DHAX) Model 4015, 2002, retrieved from http://www.perkinelmer.com/instruments. [all data]
Yin, Guo, et al., 2001
Yin, C.; Guo, W.; Lin, T.; Liu, S.; Fu, R.; Pan, Z.; Wang, L.,
Application of wavelet neural network to the prediction of gas chromatographic retention indices of alkanes,
J. Chinese Chem. Soc., 2001, 48, 739-749. [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]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M.,
Volatile compounds in chorizo and their changes during ripening,
Meat Sci., 1996, 44, 4, 255-273, https://doi.org/10.1016/S0309-1740(96)00028-9
. [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]
Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M.,
Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry,
J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F
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Skrbic and Cvejanov, 1993
Skrbic, B.D.; Cvejanov, J.Dj.,
Correlation of unified retention indices for OV-101 and squalane,
Chromatographia, 1993, 35, 1/2, 109-110, https://doi.org/10.1007/BF02278566
. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W.,
Nectarine volatiles: vacuum steam distillation versus headspace sampling,
J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037
. [all data]
van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N.,
Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety,
J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7
. [all data]
Petrov, 1984
Petrov, A.A.,
Hydrocarbons of petroleum, Nauka (publishing house), Moscow, 1984, 263. [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]
Kojima, Fujii, et al., 1980
Kojima, T.; Fujii, T.; Hosaka, Y.,
Thermal decomposition products of sterepisomeric polypropylenes,
Mass Spectrometry, 1980, 28, 4, 335-341. [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
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Robinson and Odell, 1971, 2
Robinson, P.G.; Odell, A.L.,
Comparison of isothermal and non-linear temperature programmed gas chromatography. The temperature dependence of the retention indices of a number of hydrocarbons on squalane and SE-30,
J. Chromatogr., 1971, 57, 11-17, https://doi.org/10.1016/0021-9673(71)80002-X
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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