2-Propanone, 1,1-dichloro-
- Formula: C3H4Cl2O
- Molecular weight: 126.969
- IUPAC Standard InChI: InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3
- IUPAC Standard InChIKey: CSVFWMMPUJDVKH-UHFFFAOYSA-N
- CAS Registry Number: 513-88-2
- 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: α,α-Dichloroacetone; Dichloromethyl methyl ketone; 1,1-Dichloro-2-propanone; 1,1-Dichloroacetone; DCP; 1,1-Dichloropropanone
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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 | 390.7 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
| Tboil | 393.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 35.8 | 307. | A | Stephenson and Malanowski, 1987 | Based on data from 292. to 382. K. See also Smith and Thornsberry, 1970.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 292. to 391.7 | 3.9228 | 1355.472 | -45.608 | Smith and Thornsberry, 1970 | Coefficents calculated by NIST from author's data. |
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: Sharon G. Lias and Joel F. Liebman
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H3O+ | 10.20 | CHCl2 | EI | Holmes and Lossing, 1988 |
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.
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]
Smith and Thornsberry, 1970
Smith, Edgar Dumont; Thornsberry, Willis L.,
Characterization data for chloroacetone, 1,1-dichloroacetone, and 1,3-dichloroacetone,
J. Chem. Eng. Data, 1970, 15, 2, 296-297, https://doi.org/10.1021/je60045a002
. [all data]
Holmes and Lossing, 1988
Holmes, J.L.; Lossing, F.P.,
Heats of formation and bond dissociation energies in halogen-substituted methyl and ethyl radicals,
J. Am. Chem. Soc., 1988, 110, 7343. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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