Benzene, 1-chloro-2-ethyl-
- Formula: C8H9Cl
- Molecular weight: 140.610
- IUPAC Standard InChIKey: CVGAWKYSRYXQOI-UHFFFAOYSA-N
- CAS Registry Number: 89-96-3
- 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: o-Chloroethylbenzene; 1-Chloro-2-ethylbenzene; 2-Ethylchlorobenzene
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Phase change data
Go To: Top, 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 | 451.6 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 451.65 | K | N/A | Levi and Nicholls, 1958 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 451.58 | K | N/A | Dreisbach and Martin, 1949 | Uncertainty assigned by TRC = 0.07 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 189.83 | K | N/A | Dreisbach and Martin, 1949 | Uncertainty assigned by TRC = 0.05 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.0 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 503. K. See also Dykyj and Vanko, 1970.; AC |
11.3 | 305. | N/A | Stull, 1947 | Based on data from 290. to 450. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
290.4 to 450.8 | 4.41267 | 1787.315 | -45.259 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Mass spectrum (electron ionization)
Go To: Top, Phase change 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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. |
---|---|
NIST MS number | 3722 |
Gas Chromatography
Go To: Top, Phase change 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, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | E-301 | 140. | 1038. | Skobeleva and Shevchenko, 1976 | |
Packed | E-301 | 160. | 1050. | Skobeleva and Shevchenko, 1976 |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 200. | 1429. | Vernon and Suratman, 1983 | He, Silanized white support; Column length: 2. m |
Packed | PEG-20M | 150. | 1439. | Skobeleva and Shevchenko, 1976 | Chromaton N AW DMCS; Column length: 4. m |
Packed | PEG-20M | 170. | 1470. | Skobeleva and Shevchenko, 1976 | Chromaton N AW DMCS; Column length: 4. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 1019.5 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 1016. | Zenkevich and Chupalov, 1996 | Program: not specified |
References
Go To: Top, Phase change 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]
Levi and Nicholls, 1958
Levi, L.; Nicholls, R.V.V.,
Formation of Styrene by Pyrolysis of Aromatic Heterocyclic Aldehyde- Aliphatic Acid Anhydride Mixtures on Morden Bentonite,
Ind. Eng. Chem., 1958, 50, 1005. [all data]
Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A.,
Physical Data on Some Organic Compounds,
Ind. Eng. Chem., 1949, 41, 2875-8. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Dykyj and Vanko, 1970
Dykyj, J.; Vanko, A.,
Petrochemica, 1970, 10, 1, 3. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Skobeleva and Shevchenko, 1976
Skobeleva, V.D.; Shevchenko, N.A.,
Characteristics of gas-chromatographic separation and dissolution of chloroethylbenzenes in standard liquid phases,
Zh. Anal. Khim., 1976, 31, 1551-1554. [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]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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