Acetyl chloride
- Formula: C2H3ClO
- Molecular weight: 78.498
- IUPAC Standard InChIKey: WETWJCDKMRHUPV-UHFFFAOYSA-N
- CAS Registry Number: 75-36-5
- 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: Ethanoyl chloride; Acetic chloride; CH3COCl; Acetic acid chloride; Rcra waste number U006; UN 1717; Acetic acid monochloride; UN1717 (DOT)
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Phase change data
Go To: Top, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 325. ± 2. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 160.29 | K | N/A | McDonald, Shrader, et al., 1959 | Uncertainty assigned by TRC = 0.07 K; TRC |
Tfus | 161.2 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 5.70 ± 0.04 | kcal/mol | V | Devore and O'Neal, 1969 | Heat of hydrolysis; ALS |
ΔvapH° | 6.84 | kcal/mol | V | Carson and Skinner, 1949 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.86 | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 323. K.; AC |
7.53 | 282. | A | Stephenson and Malanowski, 1987 | Based on data from 267. to 324. K. See also McDonald, Shrader, et al., 1959, 2 and Dykyj, 1970.; AC |
7.20 ± 0.10 | 323.9 | V | Mathews and Fehlandt, 1931 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 6.84 kcal/mol; ALS |
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 |
---|---|---|---|---|
266.86 to 324.20 | 3.95997 | 1062.86 | -55.531 | McDonald, Shrader, et al., 1959, 2 |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F.,
Freezing points of orgainic substances VI. New experimental determinations.,
Bull. Soc. Chim. Belg., 1921, 30, 213. [all data]
Devore and O'Neal, 1969
Devore, J.A.; O'Neal, H.E.,
Heats of formation of the acetyl halides and of the acetyl radical,
J. Phys. Chem., 1969, 73, 2644-2648. [all data]
Carson and Skinner, 1949
Carson, A.S.; Skinner, H.A.,
201. Carbon-halogen bond energies in the acetyl halides,
J. Chem. Soc., 1949, 936-939. [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]
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]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Mathews and Fehlandt, 1931
Mathews, J.H.; Fehlandt, P.R.,
The heats of vaporization of some organic compounds,
J. Am. Chem. Soc., 1931, 53, 3212-32. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Notes
Go To: Top, Phase change data, 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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