Acetyl chloride, chloro-
- Formula: C2H2Cl2O
- Molecular weight: 112.943
- IUPAC Standard InChIKey: VGCXGMAHQTYDJK-UHFFFAOYSA-N
- CAS Registry Number: 79-04-9
- 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-Chloroacetyl chloride; Chloracetyl chloride; Chloroacetic acid chloride; Chloroacetic chloride; Chloroacetyl chloride; Monochloroacetyl chloride; CH2ClCOCl; Chloroethanoyl chloride; Chlorid kyseliny chloroctove; Chlorure de chloracetyle; UN 1752; Acetyl chloride, 2-chloro-
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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
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 | 379. ± 3. | K | AVG | N/A | Average of 14 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 377. | K | N/A | Tulecki and Osinska, 1976 | TRC |
Tfus | 251.38 | K | N/A | McDonald, Shrader, et al., 1959 | Uncertainty assigned by TRC = 0.07 K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.8 | 268. | A | Stephenson and Malanowski, 1987 | Based on data from 253. to 379. K. See also Dykyj, 1970.; AC |
9.75 | 316. | N/A | McDonald, Shrader, et al., 1959, 2 | Based on data from 301. to 380. K.; AC |
10.5 | 305. | N/A | Kireev and Popov, 1935 | Based on data from 290. to 373. 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 |
---|---|---|---|---|
301.48 to 380.22 | 4.25330 | 1331.94 | -65.974 | McDonald, Shrader, et al., 1959, 2 |
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, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.30 | PE | Katsumata and Kimura, 1975 | Vertical value |
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.
Tulecki and Osinska, 1976
Tulecki, J.; Osinska, Z.,
Search for New Radioactive Agent XXIV. Synthesis of Some Sulfenomides Derived from Phenthiazine,
Ann. Phar, (Poznan), 1976, 12, 11-12. [all data]
McDonald, Shrader, et al., 1959
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of 30 Organics,
J. Chem. Eng. Data, 1959, 4, 311. [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, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
McDonald, Shrader, et al., 1959, 2
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of Thirty Pure Organic Compounds.,
J. Chem. Eng. Data, 1959, 4, 4, 311-313, https://doi.org/10.1021/je60004a009
. [all data]
Kireev and Popov, 1935
Kireev, V.A.; Popov, A.A.,
Russ. J. Gen. Chem., 1935, 5, 1399. [all data]
Katsumata and Kimura, 1975
Katsumata, S.; Kimura, K.,
Photoelectron spectra and sum rule consideration. Effect of chlorine substitution on ionization energies for chloroethanes, chloroacetaldehydes and chloroacetyl chlorides,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 309. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, 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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