Benzoic acid, 4-nitro-, 1-methylethyl ester
- Formula: C10H11NO4
- Molecular weight: 209.1986
- IUPAC Standard InChI: InChI=1S/C10H11NO4/c1-7(2)15-10(12)8-3-5-9(6-4-8)11(13)14/h3-7H,1-2H3
- IUPAC Standard InChIKey: JSZSPHFHMMXJEU-UHFFFAOYSA-N
- CAS Registry Number: 13756-40-6
- 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: 4-Nitrobenzoic acid, isopropyl ester; Isopropyl 4-nitrobenzoate; Benzoic acid, 4-nitro, isopropyl ester
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
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 | 140. | 1540. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 160. | 1536. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 180. | 1551. | 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. | 2287. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-351 | 200. | 2300. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-351 | 220. | 2339. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-351 | 2256. | 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 | 1528. | Korhonen, 1986 | 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 | 1540. | 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. 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]
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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.