N-Phenylazetidine
- Formula: C9H11N
- Molecular weight: 133.1903
- IUPAC Standard InChI: InChI=1S/C9H11N/c1-2-5-9(6-3-1)10-7-4-8-10/h1-3,5-6H,4,7-8H2
- IUPAC Standard InChIKey: JNWYXXQAOGBPNL-UHFFFAOYSA-N
- CAS Registry Number: 3334-89-2
- Chemical structure:
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Gas phase ion energetics data
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 933.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 902.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.1 | PE | Rozeboom, Houk, et al., 1982 | LBLHLM |
| 7.61 ± 0.06 | PE | Rozeboom, Houk, et al., 1982 | Vertical value; LBLHLM |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Rozeboom, Houk, et al., 1982
Rozeboom, M.D.; Houk, K.N.; Searles, S.; Seyedrezai, S.E.,
Photoelectron spectroscopy of N-aryl cyclic amines. Variable conformations and relationships to gas- and solution-phase basicities,
J. Am. Chem. Soc., 1982, 104, 3448. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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