Benzenamine, N-(phenylmethylene)-
- Formula: C13H11N
- Molecular weight: 181.2331
- IUPAC Standard InChI: InChI=1S/C13H11N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-11H
- IUPAC Standard InChIKey: UVEWQKMPXAHFST-UHFFFAOYSA-N
- CAS Registry Number: 538-51-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Aniline, N-benzylidene-; Benzalaniline; Benzaldehyde anil; Benzylideneaniline; N-Benzalaniline; N-Benzylidenaniline; N-Benzylideneaniline; M4; N-Phenylbenzenemethanimine; N-Phenylbenzylideneimine; Benzylidene-phenyl-amine; N-(Phenylmethylene)benzenamine; NSC 736
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Gas phase thermochemistry data
Go To: Top, Gas phase ion energetics data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 66.61 ± 0.53 | kcal/mol | Ccb | Kirchner, Acree, et al., 1986 |
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 compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.0 | PE | Akaba, Tokumaru, et al., 1980 | LLK |
| 8.25 | PE | Akaba, Tokumaru, et al., 1980 | Vertical value; LLK |
| 8.25 | PE | Kobayashi, Yokota, et al., 1975 | Vertical value; LLK |
| 8.27 ± 0.05 | PE | Goetz, Marschner, et al., 1974 | Vertical value; LLK |
Gas Chromatography
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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 compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SE-30 | 280. | 1769. | Oszczapowicz, Osek, et al., 1985 | N2, Chromosorb A AW; Column length: 3. m |
References
Go To: Top, Gas phase thermochemistry data, 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.
Kirchner, Acree, et al., 1986
Kirchner, J.J.; Acree, W.E., Jr.; Pilcher, G.; Shaofeng, L.,
Enthalpies of combustion of four N-phenylmethylene benzenamine N-oxide derivatives, of N-phenylmethylene benzenamine, and of trans-diphenyldiazene N-oxide: the dissociation enthalpy of the (N-O)bonds,
J. Chem. Thermodyn., 1986, 18, 793-799. [all data]
Akaba, Tokumaru, et al., 1980
Akaba, R.; Tokumaru, K.; Kobayashi, T.; Utsunomiya, C.,
Electronic structures conformations of N-benzylideneanilines. II. Photoelectron spectral study,
Bull. Chem. Soc. Jpn., 1980, 53, 2002. [all data]
Kobayashi, Yokota, et al., 1975
Kobayashi, T.; Yokota, K.; Nagakura, S.,
Photoelectron spectra of trans-azobenzene and benzalaniline,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 167. [all data]
Goetz, Marschner, et al., 1974
Goetz, H.; Marschner, F.; Juds, H.,
Zur n-pi Wechselwirkung im Benzalanilin,
Tetrahedron, 1974, 30, 1133. [all data]
Oszczapowicz, Osek, et al., 1985
Oszczapowicz, J.; Osek, J.; Ciszkowski, K.; Krawczyk, W.; Ostrowski, M.,
Retention Indices of Dimethylbenzamidines and Benzylideneamines on a Non-Polar Column,
J. Chromatogr., 1985, 330, 79-85, https://doi.org/10.1016/S0021-9673(01)81964-6
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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