- Formula: C7H5ClO
- Molecular weight: 140.567
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: FPYUJUBAXZAQNL-UHFFFAOYSA-N
- CAS Registry Number: 89-98-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzaldehyde, o-chloro-; o-Chlorobenzaldehyde; 2-Chlorobenzaldehyde; o-Chloorbenzaldehyde; USAF M-7; 2-Chlorbenzaldehyd; 2-Clorobenzaldeide; o-Chlorobenzenecarboxaldehyde; o-Chloroformylbenzene; NSC 15347
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- Other data available:
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Condensed phase thermochemistry data
Go To: Top, Phase change data, 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°liquid||-23.||kcal/mol||Ccb||Zavoianu, Contineanu, et al., 1987|
|cH°liquid||-805.9||kcal/mol||Ccb||Zavoianu, Contineanu, et al., 1987|
|cH°liquid||-806.5 ± 2.0||kcal/mol||Ccb||Smith, Bjellerup, et al., 1953||Reanalyzed by Cox and Pilcher, 1970, Original value = -806. ± 1. kcal/mol|
Phase change data
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
|Tboil||485.1||K||N/A||Weast and Grasselli, 1989||BS|
|Tboil||485.19||K||N/A||Dreisbach and Martin, 1949||Uncertainty assigned by TRC = 0.07 K; TRC|
|Tfus||285.3||K||N/A||Dreisbach, 1955||Uncertainty assigned by TRC = 0.02 K; TRC|
|Tfus||284.8||K||N/A||Dreisbach and Martin, 1949||Uncertainty assigned by TRC = 0.05 K; TRC|
Enthalpy of vaporization
|vapH (kcal/mol)||Temperature (K)||Method||Reference||Comment|
|11.9||397.||A||Stephenson and Malanowski, 1987||Based on data from 382. - 563. K. See also Dykyj, Svoboda, et al., 1999.; AC|
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- LIQUID; Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 4000-1350 CM-1, 10% IN CS2 FOR 1350-600 CM-1); BECKMAN IR-7 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|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.
|Origin||NIST Mass Spectrometry Data Center, 1998.|
|NIST MS number||291316|
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Zavoianu, Contineanu, et al., 1987
Zavoianu, D.; Contineanu, I.; Moga-Gheorghe, S.; Marchidan, D.I., Structure and reactivity of nitriles. II. Condensing reactions of methyl and dimethylphenylacetonitriles with substituted aromatic aldehydes, Rev. Chim. (Bucharest), 1987, 38, 9-15. [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]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]
Dreisbach, R.R., Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [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]
Dykyj, Svoboda, et al., 1999
Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.L.; Hall, K.R., Vapor Pressure of Chemicals: Part A. Vapor Pressure and Antoine Constants for Hydrocarbons and Sulfur, Selenium, Tellurium and Hydrogen Containing Organic Compounds, Springer, Berlin, 1999, 373. [all data]
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point cH°liquid Enthalpy of combustion of liquid at standard conditions fH°liquid Enthalpy of formation of liquid at standard conditions vapH Enthalpy of vaporization
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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