1-Butanol, 4-chloro-, acetate

Formula: C₆H₁₁ClO₂
Molecular weight: 150.603
IUPAC Standard InChI: InChI=1S/C6H11ClO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
IUPAC Standard InChIKey: PYLDCZJUHYVOAF-UHFFFAOYSA-N
CAS Registry Number: 6962-92-1
Chemical structure:
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Other names: 4-Chloro-n-butyl acetate; 4-Chlorobutyl acetate; 1-Acetoxy-4-chlorobutane; 1-Chloro-4-acetoxybutane; 4-Chlorbut-1-ylacetat; 4-Chloro-1-butanol acetate; δ-Chlorobutyl acetate; 1-Butanol, 4-chloro-, 1-acetate; NSC 53492; NSC 54074
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Kovats' RI, non-polar column, isothermal

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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.
Carrier gas				N2	N2
Substrate
Column diameter (mm)				0.33	0.33
Phase thickness (μm)
Temperature (C)	100.	120.	80.	100.	120.
I	1021.	1008.	1038.	1021.	1008.
Reference	Tarjan, Nyiredy, et al., 1989	Tarjan, Nyiredy, et al., 1989	Tarjan, Nyiredy, et al., 1989	Haken and Korhonen, 1986	Haken and Korhonen, 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary
Active phase	SE-30	SE-30
Column length (m)	25.	25.
Carrier gas	N2	N2
Substrate
Column diameter (mm)	0.33	0.33
Phase thickness (μm)
Temperature (C)	140.	80.
I	1033.	1038.
Reference	Haken and Korhonen, 1986	Haken and Korhonen, 1986
Comment	MSDC-RI	MSDC-RI

References

Go To: Top, Kovats' RI, non-polar column, isothermal, Notes

Tarjan, Nyiredy, et al., 1989
Tarjan, G.; Nyiredy, Sz.; Gyor, M.; Lombosi, E.R.; Lombosi, T.S.; Budahegyi, M.V.; Meszaros, S.Y.; Takacs, J.M., Review. Thirtieth Anniversary of the Retention Index According to Kovats in Gas-Liquid Chromatography, J. Chromatogr., 1989, 472, 1-92, https://doi.org/10.1016/S0021-9673(00)94099-8 . [all data]

Haken and Korhonen, 1986
Haken, J.K.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXXII. Capillary chromatography of C₁-C₁₈ monochlorinated n-alkyl acetates, J. Chromatogr., 1986, 356, 79-94, https://doi.org/10.1016/S0021-9673(00)91468-7 . [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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