Benzoic acid, 3-methylbut-2-yl ester
- Formula: C12H16O2
- Molecular weight: 192.2542
- IUPAC Standard InChI: InChI=1S/C12H16O2/c1-9(2)10(3)14-12(13)11-7-5-4-6-8-11/h4-10H,1-3H3
- IUPAC Standard InChIKey: LTUYGFZKXSBLDW-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Benzoic acid, 1,2-dimethylpropyl ester; 1,2-dimethylpropyl benzoate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- 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. | 1375. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 160. | 1355. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 180. | 1368. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | SE-30 | 140. | 1361. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | SE-30 | 160. | 1367. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | SE-30 | 180. | 1376. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-351 | 180. | 1827. | Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.22 mm |
| Capillary | OV-351 | 140. | 1824. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 160. | 1833. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 180. | 1851. | Korhonen and Lind, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1399. | Zaikin, 2010 | 30. m/0.25 mm/0.25 μm, 15. K/min, 270. C @ 15. min; Tstart: 60. C |
| Capillary | SE-30 | 1365. | Korhonen and Lind, 1985 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 300. C |
| Capillary | SE-30 | 1353. | Korhonen and Lind, 1985 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 300. C |
| Capillary | SE-30 | 1360. | Korhonen and Lind, 1985 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 300. C |
| Capillary | SE-30 | 1361. | Korhonen, 1985 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-351 | 1801. | Korhonen, 1986 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tstart: 100. C; Tend: 220. C |
| Capillary | OV-351 | 1840. | Korhonen and Lind, 1985 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C |
| Capillary | OV-351 | 1810. | Korhonen and Lind, 1985 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C |
| Capillary | OV-351 | 1825. | Korhonen and Lind, 1985 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C |
| Capillary | OV-351 | 1816. | Korhonen, 1985 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1356. | 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]
Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A.,
Gas-liquid chromatographic analyses. XXXVII. Capillary column studies of benzoyl and monochlorobenzoyl esters of lower saturated branched-chain alcohols,
J. Chromatogr., 1985, 323, 2, 331-342, https://doi.org/10.1016/S0021-9673(01)90395-4
. [all data]
Zaikin, 2010
Zaikin, V.G.,
Personal communication: Retention indices measured during 2010, 2010. [all data]
Korhonen, 1985
Korhonen, I.O.O.,
Gas-liquid chromatographic analyses. XLIV. Benzoyl and pentafluorobenzoyl esters of lower saturated branched-chain and unsaturated alcohols on SE-30 and OV-351 capillary columns,
J. Chromatogr., 1985, 329, 359-369, https://doi.org/10.1016/S0021-9673(01)81942-7
. [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.