Benzoic acid, 3,5-dinitro, 1-methylpropyl ester
- Formula: C11H12N2O6
- Molecular weight: 268.2228
- IUPAC Standard InChI: InChI=1S/C11H12N2O6/c1-3-7(2)19-11(14)8-4-9(12(15)16)6-10(5-8)13(17)18/h4-7H,3H2,1-2H3
- IUPAC Standard InChIKey: SWFWVZZGOVUDMH-UHFFFAOYSA-N
- CAS Registry Number: 7510-57-8
- 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. - Other names: sec-Butyl 3,5-dinitrobenzoate
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Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 140. | 1872. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 160. | 1878. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 180. | 1891. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 180. | 2748. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-351 | 200. | 2764. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-351 | 220. | 2785. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1960. | Liang, 2010 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-351 | 2757. | Korhonen, 1986 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 100. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1883. | Korhonen, 1986 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 100. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Korhonen, 1986
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XLVII. Retention Increments of Some Lower Saturated Branched-Chain, Unsaturated and Chlorinated Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary Columns,
J. Chromatogr., 1986, 360, 63-78, https://doi.org/10.1016/S0021-9673(00)91652-2
. [all data]
Liang, 2010
Liang, Y.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2010. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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