Butanoic acid, 2-ethyl, 3-methylbutyl ester

• Formula: C₁₁H₂₂O₂
• Molecular weight: 186.2912
• IUPAC Standard InChI: InChI=1S/C11H22O2/c1-5-10(6-2)11(12)13-8-7-9(3)4/h9-10H,5-8H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: MRLMZALHISCUEC-UHFFFAOYSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Isoamyl 2-ethylbutanoate; 3-Methylbutyl 2-ethylbutanoate; Isopentyl 2-ethylbutyrate
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• Information on this page:
  • Gas Chromatography
  • References
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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

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Kovats' RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, custom temperature program

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References

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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]

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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