Trichloroacetic Acid
- Formula: C2HCl3O2
- Molecular weight: 163.387
- IUPAC Standard InChI: InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)
- IUPAC Standard InChIKey: YNJBWRMUSHSURL-UHFFFAOYSA-N
- CAS Registry Number: 76-03-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Acetic acid, trichloro-; Aceto-Caustin; Amchem Grass Killer; Trichloroethanoic acid; TCA; CCl3COOH; Acide trichloracetique; Acido tricloroacetico; Trichloorazijnzuur; Trichloracetic acid; Trichloressigsaeure; Konesta; Kyselina trichloroctova; UN 1839; TKhUK; TKhU; Acetic acid, 2,2,2-trichloro-; NSC 215204
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -433.67 | kJ/mol | Cm | Trifel, Smirnov, et al., 1992 |
Condensed phase thermochemistry data
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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -497.5 ± 8.4 | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | Reanalyzed by Cox and Pilcher, 1970, Original value = -498. ± 4. kJ/mol; ALS |
| ΔcH°solid | -490.8 | kJ/mol | Ccb | Schjanberg, 1935 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 314. | 289. to 320. | Pickering, 1895 | T = 289 to 356 K.; DH |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated by: Edward P. Hunter and Sharon G. Lias
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 770.0 | kJ/mol | N/A | Hunter and Lias, 1998 | |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 739.1 | kJ/mol | N/A | Hunter and Lias, 1998 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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.
Trifel, Smirnov, et al., 1992
Trifel, B.Yu.; Smirnov, V.V.; Gloriozov, I.P.; Kurbanov, N.I.; Mamedov, F.V.,
Mechanism of reaction between trichloroacetic acid and unsaturated ketones,
Vestn. Mosk. Univ. Ser. 2: Khim., 1992, 33, 547-550. [all data]
Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H.,
Heats of combustion of organic chloro compounds determined by the "quartz wool" method,
Acta Chem. Scand., 1953, 7, 65. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Schjanberg, 1935
Schjanberg, E.,
Die Verbrennungswarmen und die Refraktionsdaten einiger chlorsubstituierter Fettsauren und Ester.,
Z. Phys. Chem. Abt. A, 1935, 172, 197-233. [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]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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