Acetic acid, chloro-, methyl ester
- Formula: C3H5ClO2
- Molecular weight: 108.524
- IUPAC Standard InChI: InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3
- IUPAC Standard InChIKey: QABLOFMHHSOFRJ-UHFFFAOYSA-N
- CAS Registry Number: 96-34-4
- 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: Methyl chloroacetate; Methyl monochloroacetate; Monochloroacetic acid, methyl ester; ClH2CCOOCH3; Chloroacetic acid methyl ester; Methyl chloroethanoate; Methyl monochloracetate; Methylester kyseliny chloroctove; UN 2295; Methyl ester of chloroacetic acid; Acetic acid, 2-chloro-, methyl ester; NSC 2635
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -444. ± 10. | kJ/mol | Eqk | Guthrie and Cullimore, 1980 | Using Hf(s,ClCH2COOH)=-122.0±2.0 kcal/mol |
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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -487.0 ± 8.8 | kJ/mol | Eqk | Guthrie and Cullimore, 1980 | Using Hf(s,ClCH2COOH)=-122.0±2.0 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1451. | kJ/mol | Ccb | Schjanberg, 1935 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
= 2
+
By formula: C5H11ClO3 + H2O = 2CH4O + C3H5ClO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -32.6 ± 1.1 | kJ/mol | Eqk | Guthrie and Cullimore, 1980 | liquid phase; Using Hf(s,ClCH2COOH)=-122.0±2.0 kcal/mol |
+
=
+
By formula: H2O + C3H5ClO2 = CH4O + C2H3ClO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -57.3 ± 2.9 | kJ/mol | Eqk | Guthrie and Cullimore, 1980 | liquid phase; Using Hf(s,ClCH2COOH)=-122.0±2.0 kcal/mol |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Guthrie and Cullimore, 1980
Guthrie, J.P.; Cullimore, P.A.,
Effect of the acyl substituent on the equilibrium constant for hydration of esters,
Can. J. Chem., 1980, 58, 1281-1294. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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