Chloral Hydrate

• Formula: C₂H₃Cl₃O₂
• Molecular weight: 165.403
• IUPAC Standard InChI: InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H Copy

  
• IUPAC Standard InChIKey: RNFNDJAIBTYOQL-UHFFFAOYSA-N Copy
• 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
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• 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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• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Phase change 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Enthalpy of sublimation

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

 +  =

By formula: C₂HCl₃O + H₂O = C₂H₃Cl₃O₂

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

• gas; HP-GC/MS/IRD

Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

References

Go To: Top, Phase change data, 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.

Kofler and Sitte, 1950
Kofler, L.; Sitte, H., Melting Point Determination of Substances with Melt with Decomposition, Monatsh. Chem., 1950, 81, 619. [all data]

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]

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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [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, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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