Benzenamine, 2-ethyl-
- Formula: C8H11N
- Molecular weight: 121.1796
- IUPAC Standard InChIKey: MLPVBIWIRCKMJV-UHFFFAOYSA-N
- CAS Registry Number: 578-54-1
- 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: Aniline, o-ethyl-; o-Aminoethylbenzene; o-Ethylaniline; 2-Ethylaniline; 2-Ethylbenzenamine; 2-Ethylbenzeneamine; ortho-Ethylaniline; Aniline, 2-ethyl-; UN 2273; 2-Ethylphenylamine; NSC 62014
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 482.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 482.7 | K | N/A | Braun, Bayer, et al., 1924 | Uncertainty assigned by TRC = 1. K; TRC |
Tboil | 487. | K | N/A | Schreiner, 1910 | Uncertainty assigned by TRC = 4. K; TRC |
Tboil | 487. | K | N/A | Benz, 1882 | Uncertainty assigned by TRC = 4. K; TRC |
Tboil | 487. | K | N/A | Beilstein and Kuhlberg, 1870 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 226.6 | K | N/A | Birch, Dean, et al., 1949 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 263.2 | K | N/A | Paucksh, 1884 | Uncertainty assigned by TRC = 20. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 60.6 ± 0.9 | kJ/mol | N/A | Verevkin, 2000 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
60.3 ± 0.9 | 304.3 | GS | Verevkin, 2000 | Based on data from 283. to 323. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
7.6 ± 0.1 | CTS | Farrell and Newton, 1966 |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 458 |
NIST MS number | 228751 |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 200. | 1902. | Vernon and Suratman, 1983 | He, Silanized white support; Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 1124.1 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Ultra-1 | 1119. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1848. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, 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]
Braun, Bayer, et al., 1924
Braun, J.V. (see vonbra j); Bayer, O.; Blessing, G.,
Chem. Ber., 1924, 57, 392. [all data]
Schreiner, 1910
Schreiner, E.,
J. Prakt. Chem., 1910, 81, 559. [all data]
Benz, 1882
Benz,
Chem. Ber., 1882, 15, 2647. [all data]
Beilstein and Kuhlberg, 1870
Beilstein, F.; Kuhlberg, A.,
Justus Liebigs Ann. Chem., 1870, 156, 206. [all data]
Birch, Dean, et al., 1949
Birch, S.F.; Dean, R.A.; Fidler, F.A.; Lowry, R.A.,
The preparation of the c(10) monocyclic aromatic hydrocarbons,
J. Am. Chem. Soc., 1949, 71, 1362. [all data]
Paucksh, 1884
Paucksh,
Chem. Ber., 1884, 17, 2801. [all data]
Verevkin, 2000
Verevkin, Sergey P.,
Thermochemical study of the ortho interactions in alkyl substituted anilines,
The Journal of Chemical Thermodynamics, 2000, 32, 2, 247-259, https://doi.org/10.1006/jcht.1999.0587
. [all data]
Farrell and Newton, 1966
Farrell, P.G.; Newton, J.,
Ionization potentials of primary aromatic amines and aza-hydrocarbons,
Tetrahedron Lett., 1966, 5517. [all data]
Vernon and Suratman, 1983
Vernon, F.; Suratman, J.B.,
The retention index system applied to alkylbenzenes and monosubstituted derivatives,
Chromatographia, 1983, 17, 11, 600-604, https://doi.org/10.1007/BF02261943
. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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