Acetic acid, dichloro-, ethyl ester
- Formula: C4H6Cl2O2
- Molecular weight: 156.995
- IUPAC Standard InChI: InChI=1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
- IUPAC Standard InChIKey: IWYBVQLPTCMVFO-UHFFFAOYSA-N
- CAS Registry Number: 535-15-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Dichloroacetic acid, ethyl ester; Ethyl dichloroacetate; Ethyl 2,2-dichloroacetate; Ethyl dichloroethanoate
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Condensed phase thermochemistry 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 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°liquid | -473. ± 2. | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | At 291.7 °K; ALS |
| ΔcH°liquid | -472.2 | kcal/mol | Ccb | Schjanberg, 1935 | ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 50.10 | 298. | von Reis, 1881 | T = 291 to 434 K.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry 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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 12.1 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
| ΔvapH° | 11.0 | kcal/mol | A | Stephenson and Malanowski, 1987 | Based on data from 283. to 430. K. See also Stull, 1947.; AC |
| ΔvapH° | 12.09 ± 0.01 | kcal/mol | C | Laynez and Wadso, 1972 | ALS |
| ΔvapH° | 12.1 ± 0.02 | kcal/mol | C | Laynez, Wadsö, et al., 1972 | AC |
| ΔvapH° | 9.2 | kcal/mol | E | Schjanberg, 1935 | 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 | Comment |
|---|---|---|---|---|---|
| 282.8 to 429.7 | 4.7975 | 1887.446 | -36.82 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Laynez and Wadso, 1972
Laynez, J.; Wadso, I.,
Enthalpies of vaporization of organic compounds. IX. Some halogen substituted hydrocarbons and esters,
Acta Chem. Scand., 1972, 26, 3148. [all data]
Laynez, Wadsö, et al., 1972
Laynez, José; Wadsö, Ingemar; Haug, Arne; Songstad, J.; Pilotti, Åke,
Enthalpies of Vaporization of Organic Compounds. IX. Some Halogen Substituted Hydrocarbons and Esters.,
Acta Chem. Scand., 1972, 26, 3148-3152, https://doi.org/10.3891/acta.chem.scand.26-3148
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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