Nitric acid, butyl ester
- Formula: C4H9NO3
- Molecular weight: 119.1192
- IUPAC Standard InChI: InChI=1S/C4H9NO3/c1-2-3-4-8-5(6)7/h2-4H2,1H3
- IUPAC Standard InChIKey: QQHZPQUHCAKSOL-UHFFFAOYSA-N
- CAS Registry Number: 928-45-0
- 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: Butyl nitrate; n-C4H9ONO2
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C3H7+ | 11.5 | ? | EI | Fraser and Paul, 1968 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 801. | Schneider and Ballschniter, 1996 | 40. C @ 3. min, 3. K/min; Tend: 250. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fraser and Paul, 1968
Fraser, R.T.M.; Paul, N.C.,
The mass spectrometry of nitrate esters and related compounds. Part I,
J. Chem. Soc. B, 1968, 659. [all data]
Schneider and Ballschniter, 1996
Schneider, M.; Ballschniter, K.,
Separation of Diastereomeric and Enentiomeric Alkyl Nitrates - Systematic Approach to Chiral Discrimination on Cyclodextrin LIPODEX-D,
Chem. Eur. J., 1996, 2, 5, 539-544, https://doi.org/10.1002/chem.19960020513
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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