Acetophenone, 2-chloro-
- Formula: C8H7ClO
- Molecular weight: 154.594
- IUPAC Standard InChIKey: IMACFCSSMIZSPP-UHFFFAOYSA-N
- CAS Registry Number: 532-27-4
- 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: Tear Gas; Ethanone, 2-chloro-1-phenyl-; α-Chloroacetophenone; α-Phenacyl chloride; ω-Chloroacetophenone; Chloromethyl phenyl ketone; CAF; CN; Phenacyl chloride; Phenyl chloromethyl ketone; 1-Chloroacetophenone; 2-Chloroacetophenone; Chloroacetophenone; CAP; NCI-C55107; Chemical mace; Chloracetophenone; 2-Chloro-1-phenylethanone; Mace; UN 1697; (2-Chloro-1-oxoethyl)benzene; 1-Phenyl-2-chloro-1-ethanone; Benzoylmethyl chloride; CN (lacrimator); Mace (lacrimator); NSC 41666; a-Chloroacetophenone
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Phase change data
Go To: Top, 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 517.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 520.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
413.2 | 0.018 | Weast and Grasselli, 1989 | BS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.7 | 293. | TE | Stephenson and Malanowski, 1987 | Based on data from 278. to 323. K. See also Balson, 1947 and Jones, 1960.; AC |
Gas Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 100. | 1231. | Huber, Kenndler, et al., 1993 | H2; Column length: 5. m; Phase thickness: 2.65 μm |
Capillary | Methyl Silicone | 120. | 1241. | Huber, Kenndler, et al., 1993 | H2; Column length: 5. m; Phase thickness: 2.65 μm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 160. | 2101. | Huber, Kenndler, et al., 1993 | Column length: 10. m; Phase thickness: 1.33 μm |
Capillary | PEG-20M | 180. | 2113. | Huber, Kenndler, et al., 1993 | Column length: 10. m; Phase thickness: 1.33 μm |
Capillary | PEG-20M | 130. | 2083.4 | Huber, Kenndler, et al., 1993 | Column length: 10. m; Phase thickness: 1.33 μm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 1230. | Kostiainen, 2000 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 280. C @ 10. min |
Capillary | DB-1 | 1230. | Gandhe, Malhotra, et al., 1989 | 30. m/0.32 mm/0.25 μm, N2, 60. C @ 2. min, 8. K/min; Tend: 200. C |
Capillary | DB-1 | 1230.2 | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 300. C @ 5. min |
Capillary | DB-5 | 1283. | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min; Tend: 300. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2114.4 | D'Agostino and Provost, 1985 | 15. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 10. K/min, 250. C @ 5. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane | 1283. | Staples, 2006 | Program: not specified |
Capillary | Polydimethyl siloxanes | 1237. | Zenkevich and Chupalov, 1996 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 2114. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
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]
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]
Balson, 1947
Balson, E.W.,
Studies in vapour pressure measurement, Part III.?An effusion manometer sensitive to 5 «65533» 10?6 millimetres of mercury: vapour pressure of D.D.T. and other slightly volatile substances,
Trans. Faraday Soc., 1947, 43, 54, https://doi.org/10.1039/tf9474300054
. [all data]
Jones, 1960
Jones, A.H.,
Sublimation Pressure Data for Organic Compounds.,
J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019
. [all data]
Huber, Kenndler, et al., 1993
Huber, J.F.K.; Kenndler, E.; Reich, G.; Hack, W.; Wolf, J.,
Optimal Selection of Gas Chromatographic Columns for the Analytical Control of Chemical Warfare Agents by Application of Information Theory to Retention Data,
Anal. Chem., 1993, 65, 20, 2903-2906, https://doi.org/10.1021/ac00068a031
. [all data]
Kostiainen, 2000
Kostiainen, O.,
Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention
in Encyclopedia of Analytical Chemistry, Meyers, R.A., ed(s)., John Wiley Sons Ltd, Chichester, 2000, 963-979. [all data]
Gandhe, Malhotra, et al., 1989
Gandhe, B.R.; Malhotra, R.C.; Gutch, P.K.,
Gas chromatographic retention indices of tear gases on capillary columns,
J. Chromatogr., 1989, 479, 165-169, https://doi.org/10.1016/S0021-9673(01)83328-8
. [all data]
D'Agostino and Provost, 1985
D'Agostino, P.A.; Provost, L.R.,
Gas chromatographic retention indices of chemical warfare agents and simulants,
J. Chromatogr., 1985, 331, 47-54, https://doi.org/10.1016/0021-9673(85)80005-4
. [all data]
Staples, 2006
Staples, E.J.,
Creating a compound library for chemical warfare agents for the ZNose, 2006, retrieved from http://www.estcal.com/TechPapers/Security/CWA-Libraries.pdf. [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]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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