Benzonitrile, 2-chloro-
- Formula: C7H4ClN
- Molecular weight: 137.566
- IUPAC Standard InChI: InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H
- IUPAC Standard InChIKey: NHWQMJMIYICNBP-UHFFFAOYSA-N
- CAS Registry Number: 873-32-5
- 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: Benzonitrile, o-chloro-; o-Chlorobenzonitrile; o-Chlorocyanobenzene; o-Cyanochlorobenzene; 2-Chlorobenzonitrile; o-Chlorbenzonitril; Nitril kyseliny o-chlorbenzoove; 2-Chlorobenzoic acid nitrile
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Phase change data
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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 505.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 12.8 | 393. | EB | Aim, 1994 | Based on data from 378. to 486. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 10.26 ± 0.06 | EI | Buchs, 1970 |
References
Go To: Top, Phase change data, 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Aim, 1994
Aim, Karel,
A modified ebulliometric method for high-boiling substances: vapour pressures of 2-chlorobenzonitrile and 4-chlorobenzonitrile at temperatures from 380 K to 490 K,
The Journal of Chemical Thermodynamics, 1994, 26, 9, 977-986, https://doi.org/10.1006/jcht.1994.1115
. [all data]
Buchs, 1970
Buchs, A.,
Etude par spectrometrie de masse de l'ionisation de benzonitriles, de phenylacetonitriles et de N,N-dimethylanilines substitues,
Helv. Chim. Acta, 1970, 53, 2026. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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