Carbonochloridic acid, ethyl ester
- Formula: C3H5ClO2
- Molecular weight: 108.524
- IUPAC Standard InChI: InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3
- IUPAC Standard InChIKey: RIFGWPKJUGCATF-UHFFFAOYSA-N
- CAS Registry Number: 541-41-3
- 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: Formic acid, chloro-, ethyl ester; Cathyl chloride; Chlorocarbonic acid, ethyl ester; Chloroformic acid, ethyl ester; Ethoxycarbonyl chloride; Ethyl chlorocarbonate; Ethyl chloroformate; Chlorocarbonate d'ethyle; Clhorameisensaeureaethylester; ECF; Ethylchloorformiaat; Ethyle, chloroformiat d'; Ethylester kyseliny chlormravenci; Etil clorocarbonato; Etil cloroformiato; TL 423; UN 1182; Ethyl carbonochloridate
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Gas 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°gas | -109.8 ± 0.41 | kcal/mol | Cm | Davies, Finch, et al., 1980 | Heat of hydrolysis |
Reaction 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
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
3 +
= CNa2O3 +
+
+
By formula: 3HNaO + C3H5ClO2 = CNa2O3 + C2H6O + ClNa + H2O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -77.27 ± 0.41 | kcal/mol | Cm | Davies, Finch, et al., 1980 | liquid phase; Heat of hydrolysis |
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) | 182.8 | kcal/mol | N/A | Hunter and Lias, 1998 | |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 175.4 | kcal/mol | N/A | Hunter and Lias, 1998 |
IR Spectrum
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Sadtler Research Labs Under US-EPA Contract |
| State | gas |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Davies, Finch, et al., 1980
Davies, R.H.; Finch, A.; Gardner, P.J.,
The standard enthalpy of formation of liquid and gaseous ethylchloroformate (C3H5O2Cl),
J. Chem. Thermodyn., 1980, 12, 291-296. [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, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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