Acetic acid, chloro-
- Formula: C2H3ClO2
- Molecular weight: 94.497
- IUPAC Standard InChI: InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
- 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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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°solid | -174. ± 1. | kcal/mol | Ccb | Smith, Bjellerup, et al., 1953 | ALS |
| ΔcH°solid | -173.7 | kcal/mol | Ccb | Schjanberg, 1935 | ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 43.00 | 321.05 | Urazovskii and Sidorov, 1950 | T = 47 to 65°C. Value is unsmoothed experimental datum. Maxima at 50.7, 56.9, and 61.2°C.; DH |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 34.4 | 288. to 318. | Pickering, 1895 | T = 288 to 349 K.; DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLUTION (1% CCl4 FOR 3800-1330, 1% CS2 FOR 1330-400 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (11% IN CCl4 FOR 3800-1300, 4% IN CS2 FOR 1300-645, AND 11% IN CCl4 FOR 645-250 CM-1); PERKIN-ELMER 521 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| NIST MS number | 818 |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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]
Urazovskii and Sidorov, 1950
Urazovskii, S.S.; Sidorov, I.A.,
Concerning singularities in the temperature dependence of the specific heat of liquids and the nature of phase transitions of the second kind,
Doklady Akad. Nauk, 1950, SSSR 70, 859-862. [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, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid ΔcH°solid Enthalpy of combustion of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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