Butanoic acid, 2-ethyl, pentyl ester
- Formula: C11H22O2
- Molecular weight: 186.2912
- IUPAC Standard InChI: InChI=1S/C11H22O2/c1-4-7-8-9-13-11(12)10(5-2)6-3/h10H,4-9H2,1-3H3
- IUPAC Standard InChIKey: PQIYTFKEWTVAEE-UHFFFAOYSA-N
- 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: Pentyl 2-ethylbutyrate; Pentyl 2-ethylbutanoate; 2-Ethylbutyric acid, pentyl ester
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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 |
|---|---|---|---|---|---|
| Packed | SE-30 | 150. | 1183. | Ashes and Haken, 1974 | Celaton (62-72 mesh); Column length: 3.7 m |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1183. | Chretien and Dubois, 1978 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 1219. | Zaikin, 2007 | Column length: 30. m; Column diameter: 0.19 mm; Program: 20C => 5C/min => 120C => 10C/min => 280C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1183. | Du and Feng, 2008 | Program: not specified |
| Capillary | SE-30 | 1183. | Liu, Liang, et al., 2007 | 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.
Ashes and Haken, 1974
Ashes, J.R.; Haken, J.K.,
Gas chromatography of homologous esters. VI. Structure-retention increments of aliphatic esters,
J. Chromatogr., 1974, 101, 1, 103-123, https://doi.org/10.1016/S0021-9673(01)94737-5
. [all data]
Chretien and Dubois, 1978
Chretien, J.R.; Dubois, J-E.,
Topological Analysis: A Technique for the Physico-Chemical Exploitation of Retention Data in Gas-Liquid Chromatography,
J. Chromatogr., 1978, 158, 43-56, https://doi.org/10.1016/S0021-9673(00)89954-9
. [all data]
Zaikin, 2007
Zaikin, V.G.,
Personal Communication: Retention indices measured during the period 2006 to 2007 (I), 2007. [all data]
Du and Feng, 2008
Du, X.; Feng, C.,
Correlativity research between topological dyeing index and gas chromatography retention index of fatty esters,
J. Petrochem. Univ. (Chinese), 2008, 21, 1, 16-20. [all data]
Liu, Liang, et al., 2007
Liu, F.; Liang, Y.; Cao, C.; Zhou, N.,
QSPR study of GC retention indices for saturated esters on seven stationary phases based on novel topological indices,
Talanta, 2007, 72, 4, 1307-1315, https://doi.org/10.1016/j.talanta.2007.01.038
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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