Pentane, 3-methylene-
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChI: InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3
- IUPAC Standard InChIKey: RYKZRKKEYSRDNF-UHFFFAOYSA-N
- CAS Registry Number: 760-21-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: 1-Butene, 2-ethyl-; 2-Ethyl-1-butene; 3-Methylenepentane; (C2H5)2C=CH2; 1,1-Diethylethene; 2-ethylbut-1-ene
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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 | Packed | Packed |
|---|---|---|---|---|
| Active phase | Polydimethyl siloxane | DB-1 | SE-30 | Squalane |
| Column length (m) | 60. | 6.1 | 3.0 | |
| Carrier gas | N2 | N2 | ||
| Substrate | Chromosorb W | Embacel | ||
| Column diameter (mm) | 0.32 | |||
| Phase thickness (μm) | 0.25 | |||
| Program | not specified | not specified | 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) | 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
| I | 592. | 608. | 600. | 594. |
| Reference | Junkes, Castanho, et al., 2003 | Ciccioli, Cecinato, et al., 1994 | 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.
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]
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]
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
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