Ethyl 3,5-dinitrobenzoate
- Formula: C9H8N2O6
- Molecular weight: 240.1696
- IUPAC Standard InChI: InChI=1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3
- IUPAC Standard InChIKey: IBQREHJPMPCXQA-UHFFFAOYSA-N
- CAS Registry Number: 618-71-3
- 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: Benzoic acid, 3,5-dinitro-, ethyl ester
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Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 160. | 1757. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 180. | 1760. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 200. | 1767. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 220. | 1781. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 240. | 1810. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
| Capillary | SE-30 | 140. | 1752. | Korhonen, 1986, 2 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 160. | 1762. | Korhonen, 1986, 2 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 180. | 1777. | Korhonen, 1986, 2 | 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. | 2739. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 200. | 2764. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 220. | 2781. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 180. | 2753. | Korhonen, 1986, 2 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-351 | 200. | 2774. | Korhonen, 1986, 2 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-351 | 220. | 2792. | Korhonen, 1986, 2 | 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 | SE-30 | 1755. | Korhonen, 1986 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 310. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1833. | Tretyakov, 2011 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-351 | 2753. | Korhonen, 1986 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 220. C |
| Capillary | OV-351 | 2749. | Korhonen, 1986, 2 | 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 | 1761. | Korhonen, 1986, 2 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 100. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Squalane | 1752. | Chen, 2008 | Program: not specified |
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. XLV. Retention Behaviour of C1-C12 n-Alkyl Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary Columns,
J. Chromatogr., 1986, 356, 285-299, https://doi.org/10.1016/S0021-9673(00)91489-4
. [all data]
Korhonen, 1986, 2
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]
Tretyakov, 2011
Tretyakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
Chen, 2008
Chen, H.-F.,
Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression,
Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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