Heptanonitrile
- Formula: C7H13N
- Molecular weight: 111.1848
- IUPAC Standard InChI: InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3
- IUPAC Standard InChIKey: SDAXRHHPNYTELL-UHFFFAOYSA-N
- CAS Registry Number: 629-08-3
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: Hexyl cyanide; Heptanenitrile; Enanthonitrile; n-Hexyl cyanide; n-Heptanenitrile; 1-Heptanonitrile; 1-Cyanohexane; Heptyl nitrile; heptane-1-nitrile
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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 |
|---|---|---|---|---|
| Active phase | HP-1 | HP-1 | OV-101 | DB-5 |
| Column length (m) | 50. | 50. | 25. | 60. |
| Carrier gas | He | He | N2/He | He |
| Substrate | ||||
| Column diameter (mm) | 0.2 | 0.2 | 0.20 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.10 | |
| Tstart (C) | 60. | 60. | 50. | 40. |
| Tend (C) | 250. | 250. | 250. | 160. |
| Heat rate (K/min) | 2. | 2. | 6. | 2. |
| Initial hold (min) | 5. | |||
| Final hold (min) | 40. | 60. | ||
| I | 949. | 945. | 961. | 985. |
| Reference | Valette, Fernandez, et al., 2006 | Bendimerad and Bendiab, 2005 | Zenkevich, 2005 | Macku and Shibamoto, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Valette, Fernandez, et al., 2006
Valette, L.; Fernandez, X.; Poulain, S.; Lizzani-Cuvelier, L.; Loiseau, A.-M.,
Chemical composition of the volatile extracts from Brassica oleracea L. var. botrytis 'Romanesco' cauliflower seeds,
Flavour Fragr. J., 2006, 21, 1, 107-110, https://doi.org/10.1002/ffj.1530
. [all data]
Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u
. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Macku and Shibamoto, 1991
Macku, C.; Shibamoto, T.,
Headspace volatile compounds formed from heated corn oil and corn oil with glycine,
J. Agric. Food Chem., 1991, 39, 7, 1265-1269, https://doi.org/10.1021/jf00007a014
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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