4-Heptanone
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChI: InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
- IUPAC Standard InChIKey: HCFAJYNVAYBARA-UHFFFAOYSA-N
- CAS Registry Number: 123-19-3
- 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: Butyrone; Dipropyl ketone; GBL; Propyl ketone; (n-C3H7)2CO; Heptan-4-one; Di-n-propyl ketone; UN 2710; NSC 8692
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Kovats' RI, polar column, isothermal
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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | HP-Innowax | HP-Innowax | HP-Innowax | PEG-20M |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.2 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 0.5 | 0.13 |
| Temperature (C) | 110. | 50. | 70. | 90. | 80. |
| I | 1157.1 | 1139.4 | 1145.0 | 1151.1 | 1120.8 |
| Reference | Héberger and Görgényi, 1999 | Héberger and Görgényi, 1999 | Héberger and Görgényi, 1999 | Héberger and Görgényi, 1999 | Orav, Kuningas, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | PEG-20M | PEG-20M |
| Column length (m) | 50. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.2 | 0.2 |
| Phase thickness (μm) | 0.19 | 0.22 |
| Temperature (C) | 80. | 80. |
| I | 1131.9 | 1135.5 |
| Reference | Orav, Kuningas, et al., 1994 | Orav, Kuningas, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Héberger and Görgényi, 1999
Héberger, K.; Görgényi, M.,
Principal component analysis of Kováts indices for carbonyl compounds in capillary gas chromatography,
J. Chromatogr., 1999, 845, 1-2, 21-31, https://doi.org/10.1016/S0021-9673(99)00323-4
. [all data]
Orav, Kuningas, et al., 1994
Orav, A.; Kuningas, K.; Kailas, T.; Koplimets, E.; Rang, S.,
Effect of adsorption on the retention values in capillary columns coated with OV-225 and PEG 20M,
J. Chromatogr. A, 1994, 659, 1, 143-150, https://doi.org/10.1016/0021-9673(94)85016-X
. [all data]
Notes
Go To: Top, Kovats' RI, polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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