Chloral Hydrate
- Formula: C2H3Cl3O2
- Molecular weight: 165.403
- IUPAC Standard InChIKey: RNFNDJAIBTYOQL-UHFFFAOYSA-N
- CAS Registry Number: 302-17-0
- 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: 1,1-Ethanediol, 2,2,2-trichloro-; Bi 3411; Chloral monohydrate; Chloraldurat; Dormal; Hydral; Lorinal; Noctec; Nycoton; Nycton; Phaldrone; Rectules; Somnos; Tosyl; Trawotox; Trichloroacetaldehyde hydrate; Trichloroacetaldehyde monohydrate; 1,1,1-Trichloro-2,2-dihydroxyethane; 2,2,2-Trichloro-1,1-ethanediol; Chloradorm; Cohidrate; Escre; Felsules; Hynos; Kessodrate; Lycoral; Oradrate; Somni Sed; Sontec; SK-Chloral hydrate; Trichloracetaldehyd-hydrat; Aquachloral; Hydrate de chloral; Nortec; 1,1,1-Trichloro-2,2-ethanediol; NSC 3210; 2,2,2-trichloroethane-1,1-diol
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Reaction 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 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
By formula: C2HCl3O + H2O = C2H3Cl3O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -51.76 ± 0.08 | kJ/mol | Cm | Wiberg, Morgan, et al., 1994 | liquid phase |
ΔrH° | -51.14 ± 0.15 | kJ/mol | Eqk | Henke, Hadad, et al., 1993 | liquid phase; solvent: Acetone |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- SOLID (NUJOL MULL); PERKIN-ELMER 21 (GRATING) $$SPECTRAL CONTAMINATION DUE TO OIL AROUND 2850 CM-1; 2 cm-1 resolution
- SOLUTION SATURATED (CS2 FOR 2-15 microns); PERKIN-ELMER 21 (GRATING); 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Reaction 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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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, 1990. |
NIST MS number | 118677 |
References
Go To: Top, Reaction 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.
Wiberg, Morgan, et al., 1994
Wiberg, K.B.; Morgan, K.M.; Maltz, H.,
Thermochemistry of carbonyl reactions. 6. A study of hydration equilibria,
J. Am. Chem. Soc., 1994, 116, 11067-11077. [all data]
Henke, Hadad, et al., 1993
Henke, S.L.; Hadad, C.M.; Morgan, K.M.; Wiberg, K.B.; Wasserman, H.H.,
A theorectical and experimental investigation of vicinal tricarbonyl systems and their hydrates,
J. Org. Chem., 1993, 58, 2830-2839. [all data]
Notes
Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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