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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Kovats' RI, non-polar column, isothermal
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 | SE-30 | SE-30 | SE-30 | SE-30 |
| Column length (m) | 25. | 25. | 25. | 25. | 25. |
| Carrier gas | N2 | N2 | N2 | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.33 | 0.33 | 0.33 | 0.33 | 0.33 |
| Phase thickness (μm) | |||||
| Temperature (C) | 160. | 180. | 200. | 220. | 240. |
| I | 1757. | 1760. | 1767. | 1781. | 1810. |
| Reference | Korhonen, 1986 | Korhonen, 1986 | Korhonen, 1986 | Korhonen, 1986 | Korhonen, 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | SE-30 | SE-30 | SE-30 |
| Column length (m) | 25. | 25. | 25. |
| Carrier gas | N2 | N2 | N2 |
| Substrate | |||
| Column diameter (mm) | 0.22 | 0.22 | 0.22 |
| Phase thickness (μm) | |||
| Temperature (C) | 140. | 160. | 180. |
| I | 1752. | 1762. | 1777. |
| Reference | Korhonen, 1986, 2 | Korhonen, 1986, 2 | Korhonen, 1986, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, isothermal, 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]
Notes
Go To: Top, Kovats' RI, non-polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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