Acetic acid, chloro-
- Formula: C2H3ClO2
- Molecular weight: 94.497
- IUPAC Standard InChIKey: FOCAUTSVDIKZOP-UHFFFAOYSA-N
- CAS Registry Number: 79-11-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: α-Chloroacetic acid; Chloroacetic acid; Chloroethanoic acid; Monochloroethanoic acid; CH2ClCOOH; Chloracetic acid; Monochloracetic acid; Monochloroacetic acid; Acide chloracetique; Acidomonocloroacetico; Monochloorazijnzuur; Monochloressigsaeure; MCA; Acide monochloracetique; Kyselina chloroctova; NCI-C60231; UN 1751; Acetic acid, 2-chloro-; NSC 142
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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
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 462.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 461. | K | N/A | Dreisbach and Martin, 1949 | Uncertainty assigned by TRC = 0.07 K; TRC |
Tboil | 462.5 | K | N/A | Lecat, 1943 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 462.5 | K | N/A | Lecat, 1943, 2 | Uncertainty assigned by TRC = 0.35 K; TRC |
Tboil | 462.50 | K | N/A | Lecat, 1926 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 332. ± 7. | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 19.6 ± 0.2 | kcal/mol | ME | Lagoa, Diogo, et al., 2001 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.6 | 351. | A | Stephenson and Malanowski, 1987 | Based on data from 336. to 463. K.; AC |
13.6 | 392. | A | Stephenson and Malanowski, 1987 | Based on data from 377. to 463. K. See also McDonald, Shrader, et al., 1959 and Dykyj, 1970.; AC |
13.3 | 411. | N/A | Dreisbach and Shrader, 1949 | Based on data from 396. to 460. K. See also Dreisbach and Martin, 1949, 2.; 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 |
---|---|---|---|---|
344.66 to 462.3 | 4.68516 | 1733.96 | -92.154 | McDonald, Shrader, et al., 1959 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.90 | 334.8 | DSC | Lagoa, Diogo, et al., 2001 | AC |
3.8948 | 334.33 | N/A | Pickering, 1895 | α-Isomer.; DH |
3.3301 | 329.16 | N/A | Pickering, 1895 | β-Isomer.; DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.65 | 334.33 | Pickering, 1895 | α-Isomer.; DH |
10.12 | 329.16 | Pickering, 1895 | β-Isomer.; DH |
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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Lecat, 1943
Lecat, M.,
Negative and other Azeotropes,
C. R. Hebd. Seances Acad. Sci., 1943, 217, 242. [all data]
Lecat, 1943, 2
Lecat, M.,
Azeotropes of Ethyl Urethane and other Azeotropes,
C. R. Hebd. Seances Acad. Sci., 1943, 217, 273. [all data]
Lecat, 1926
Lecat, M.,
New binary azeotropes: 3rd list,
Ann. Soc. Sci. Bruxelles, Ser. B, 1926, 45, 284-94. [all data]
Lagoa, Diogo, et al., 2001
Lagoa, Ana L.C.; Diogo, Hermínio P.; Dias, M. Pilar; Minas da Piedade, Manuel E.; Amaral, Luísa M.P.F.; Ribeiro da Silva, Manuel A.V.; Martinho Simões, José A.; Guedes, Rita C.; Costa Cabral, Benedito J.; Schwarz, Karsten; Epple, Matthias,
Energetics of C-Cl, C-Br, and C-I Bonds in Haloacetic Acids: Enthalpies of Formation of XCH2COOH (X=Cl, Br, I) Compounds and the Carboxymethyl Radical,
Chem. Eur. J., 2001, 7, 2, 483-489, https://doi.org/10.1002/1521-3765(20010119)7:2<483::AID-CHEM483>3.0.CO;2-A
. [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
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]
Dreisbach and Shrader, 1949
Dreisbach, R.R.; Shrader, S.A.,
Vapor Pressure--Temperature Data on Some Organic Compounds,
Ind. Eng. Chem., 1949, 41, 12, 2879-2880, https://doi.org/10.1021/ie50480a054
. [all data]
Dreisbach and Martin, 1949, 2
Dreisbach, R.R.; Martin, R.A.,
Physical Data on Some Organic Compounds,
Ind. Eng. Chem., 1949, 41, 12, 2875-2878, https://doi.org/10.1021/ie50480a053
. [all data]
Pickering, 1895
Pickering, S.U.,
A comparison of some properties of acetic acid and its chloro- and bromo-derivatives,
J. Chem. Soc., 1895, 67, 664-684. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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